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NIH US. ationltibray of Medicine National Conor for Biotechnology Information PubO@hem |oveu%. seach Conpons a » che thie Record Aloe-emodin § 2? @& Ww Pubchem ci: 1207 Chemical Names: Aloe-emdin Ale emosin 481-72-1 Ale-emadine: AloeemosinsRhababerene More Molecular Fermubs: Ch e0s Moleculat Weight 27024 g/mol Inch Key: YOQWOHRMZQUIBA-UHFFAOYSAAN Substance Registry: OA UNI Safety Summary: Labotatyy Chemica Safty Surimany 688) ‘Nocematin sound in geen vegetables. lore odin fund ia los, abo batho aca Sagas Rhames pusians, Chinese hubs Rheum palnatum and Abus “idltum hub. aloeemagin ran athannons presen ale tex am edt rom the alos park hae song stinulantdseatve acon Albeemn belongs 10 ‘he ami of Antraquinones These re ganic compounds contanngahvacane- 1-sunone, an snivacene deve wth bo Ketone groups altace the cena benzene ing » metelte Descrition fm Human Metabolome Database PURCHEM > COMPOUND > ALOEEMOOIN ete ate: 205 09 26, pejcrrschn nh governance bam Soseat © Contents 120 Stuctire 230 conformer 2 Names and denier 4 Chemical and Physial Properties 5 Ralted Records 6 Chemical Vendors 1 Pharmacology and Biochemisty 8 Safety and Hazards 10 Patents 11 Biological Test Results 12.clasifcation © 13 Information Sources pejcrrschn nh governance bam Soseat 1 2D Structure Qseuich — A doanoad — Gat age 2. 3D Conformer Qseuich — A Doanoad — RNGak age Qmagnity Csrowlyogens Show Alms Cintenet » from PubChem pejcrrschn nh governance bam Soseat 3 Names and Identifiers 3.1 Computed Descriptors 3.1.7 UPAC Name 1 ciyerow5-ydrouymethllantracene-9,10aone » from PubChem 3.12 cht IncotetS/C1SH005/e1- 67-49-15" 165-715 20)2 814 1972-15-10217/-5, 168A > fram PubChem 3.13 Inchi Key ‘YOOWOHN ZQUTBA-UHFFFAOYSA-N 3.14 Canonical SMILES CI=CeR=CleecHO}EI-O}CS-CIC=CIC=CBCR-OICO}O 3.2 Molecular Formula Cites » from PubChem 33 Other Identifiers 33.1 CAS 41724 pus 8A DSS, Europe Agency -ECHA, Hunan Metalome Database 332 EC Number 333 UNI cavrscrre » from FDA/SPL Indexing Data 334 Wikipedia Descpion chemieleompound 34 Synonyms 34.1 MeSH Synonyms 3.42 Depositor-Supplied Synonyms pejcrrschn nh governance bam Soseat 1 Aloeemodin 11 18-ihydrony--hydroymetylntvagunone 2 Ale encdin ye nsc38628 aaprert 18 12:Dhyrony--(ydronmethyhantraquinone A Aloe-enedine 4 1bihydony--tydroxmethy-T0anthvaceneione 5 Aleman 16 cens 3506 6 Arabarerone 16 910-Amtacenedione, L8-dihyony-Shydronymetyh 1 EMODINE WEINECS 207-5717 1 Syerogmetnyehysazin 1 aRN 2039062 8. 2aydrogmety hearing 18, cuemau4ar7s 10 1Benyrony3hydronymethyantracee-8,10-ione_ 20, CHEBL2607 pejcrrschn nh governance bam Soseat 21. YOQWDHRMZQUTBA-UHFFTAOYSAAN ze nscxasza 28 BdinydeonyS-hydeonymettyh-9,1Dantve 24 mcooa017373 25 8-dnydeony3-rysronymetiy-avaquios 26 0100526 21. 18-Dnydrony--thyerommethybantha3, 10 28 ANTHRAQUINONE 78-DIHYOROXY-2-8¥0R 28 Alocomosins,1O-Antirceneione sy an stnoo0470520 fram Pudchem 4 Chemical and Physical Properties 4.1 Computed Properties Property Name Molecule Weight Hydrogen ond Bonor Count yaogen Bond Acceptor Count fottble Bord Count comes “CACTVS Subst Key Fingering Topological Polar Surce Area Monciotoic Mase bac Mare KlogP 3-04 Compound is Canonicazed Forma charge eswy Atom Count Defines tom Sterocentr Count Undfines Atom Stereoenter Count Define ond Stereacentar Count LUndfine Bond Stesocenor Count Iotope atom Count {ovale Bondes Unit Count 42 Experimental Properties 42.1 Melting Point m-2°C 43 Spectral Properties Property Value 21024 g/m a 5 a ARADccBWOARAARAAAABARAABARAABAAAABAWYMAAAAABAADBQAAAGANC 'BAADASmAtnGoAAGCIAGESAAACAAAGIAIAECCNGINACTRKACUAKAREINVLP SOmMADAAAYAACRAAYAADAABAAAABAA pire 270058 g/ml 270083 g/ml 18 9 10.2rthracanedion, LA-ahyeony3hyaronmeti Elmass spectrum top peaks depaye0 4a coms vst nner ams way in tay Touts a rvetop et m0 vind Hes ua ves Hohe es 10 Trunin : 120 180 20 20 230 (© 2014by the US, Secretary af Conrnare, iipsbanccta in gevcorgirt » frm Pubchem from mst 432 MS-MS 1. MS-MS Spectrum 108857 2 MS-MS Spectrum "08858, 1A MS.NS Spectrum "00859, “4 MSS Spec 176295 5. MS-NS Spectrum 176256, 1 MS-MS Spectr 176257 » fron Human Metabolome Database pejcrrschn nh governance bam Soseat 5 Related Records 5.1 Related Compounds with Annotation i oso) hahah) nee) in Hon Je 200 52 Related Compounds Same Conectiny Precorse Same Parent Connactvty Greco Same Parent Exact Srecorde Neutalaed Forme Torso Sina Compounds 66 records Sina conformers 1098 records 53 Substances 53.1 Related Substances a 32 cords some 2 ecords More recor 5.32 Substances by Category A Downtsd » chard Vendors (2) curtion eons (12) » Governmental Organizations 1) » Jourmal Publishes 2) Ines 6) » Research and Development 22) » Subscription Sees (8) > Loocy Depostor 54 Entrez Crosslinks ene 38 records pejcrrschn nh governance bam Soseat peocrersehntn wesrpanaloaadnbecen- Herman Sava © Chemical Vendors Vendor/Suppiee chen-Spacecom Database labesher Tracts chem Sciontife ‘Acom Pharmatach Product Ut Targetol Sigma-Alsich Vise Laborton, Seleckchem Pharm aber Gb AAA chemist chembasec [AN Pharma ech |S chemical Techology Heroes lo-Tech Abowchem LC Achat Sint United Tr oiyo Chemie nut Pharm ne Astaech, me Pichemicae Arora Fine Chemicals Lc Hangzhou APICham Tecnology chenshtle plod Race Oemicl Modcnemexpress MCE ‘OXCHEM CORPORATION ambinter Aveta Technology Boss foarchem chemscane Hangzhou Tien chemical Technology pejcbrrchin i governance bam Soseat Purchase Chemical se4es76 reanne sana ras 2848-1009 ‘2843-2009 ee43-2509 reeas-smg 93938,51N. 7687 eM yo001596,518, ares srur4sne0 Nlot-smodin ‘Aloe-masin-Supple by Sle hema 22s Selec see? asseos acs roe antes rans aor 4st ad acre 2401 axcieorre ase reaesre anno Ac029 sveor cao vozzsoszer H-nore9 xe006287 sanc2s6e est 0100826 srove377 Poss scare sao suao03252 ThefwAnsyze —-& Download Pubchem SID asteesr7s aoenaarse astoraise asroiseat sora078 arae84770 rnesezt sreteseas arereza araeea078 sree? 2agor26r sense rworaroa raszrsesa sien 12457667 1oa2sas2e zrsesi2 retreno7 1095213 reoor7ens zaserios2 estr6078 sreune3s0 nessa asarsa0ss reoern388 zasrorose rexrs4o08 sez0esr63 zeraeor61 sereoze 9580070 ansuroe aszev66s7 2sao04s31 assuronse 114052098 reaeraa99 assust2 asaorese3 aasrit68 sse0103 sraeo ssanse Nc AK Scintifc me AKSC Moon Yohao chemical ‘changchem oc Scieces [AM Pharmtech CO, U1. Kingston Chemisty doo Bioscience _lemham Lie Scenes oul chemces Assembly Blocks Pit. Ld Akos Consukng & Soltons ite syne core ZarschemChina} eNowtion Chemical Finetech nu Limited pejcrrschn nh governance bam Soseat zincoKoseoe _incsoaeses or MolPo-00-881-116 roves zona whg-0349 cut aon ast016 xsT-1B4504 Aloe-amodin cast MeuLesaossaeaes creas 0010470 AxoS00s720864 ezaera sr2cousoas sueoast19 Intemecinter ZCF07936 baer rosze06e rans asrvnzoe seor72882 sreo4760 sre2en058 srensi6re Rspri981 aesrrarss asaroro%e zaxsne7 ronsizie 1634798 srexseose 1as13399 zuassir9s zawons 13200849 7ascoes 248865185 see80775 iseore"2 msusreer 164006177 from pubcrem 7 Pharmacology and Biochemistry 7.1. Human Metabolite Information 7.4.1 Metabolite Description [Albee foun in green vegetables, Aloce modi found in albes, ao bao ascar sagraca Rhamnu prsiana, Chinese hubs Rheum palnatum and Rheum Undltum (har Albe ean isan av aquiore pesentin aloe ex, an eda om he ale plant. Khas a stang stimulant ative acion_Aloeemodn belongs to ‘the family of Arthraquinaner. Ther te organic compounds contsinngsntraens3,1-qunone, an neacanedertve wth to kone group tached to th cena benzene ing. » fom Human Metboiome Dotaboe 742 Cellular Locations 1-cytophsm 2 seracellobe » fom Human Metabolome Dotaba pejcrrschn nh governance bam Soseat 8 Safety and Hazards 81 Hazards Identification 81.1 GHS Classification Signa: Wseing| GGHS Hazard Statements [Aggregated GHS infomation fom notation provide by 27 companies to the ECHA CAL ventory. ach notifestion may be azote wth malpl companies 815 863% Causs sin itation Waring Sin comosoninatin Category 2) 9 (96.3) Causes serous ee tation (inning Sreus ee damageleye inttion Category 2A) 5 (92S) May cute respon ination [Waring Spee target organ tov single exporire: Resistor tat tation = Ctegoy 3] Information may vary between notation depending on putes, adtvs and ott factors. The percentage value in parethessinacates the noted hs tion ‘ai oma companies On HaLard Codes with percentage vale above 10% ae shown, Precautionary Statement Codes P26 Poe P27, P26, 7302-9352, P304-PB40, PR0S~3S' P33, 372 P32), PBEZWPE1,PIA7-P313, F362 PADBLP2N, PAS, and PSOT (The coresponding slatement to each Pode canbe fond here) » from Eropson Chemical Agency HA pejcrrschn nh governance bam Soseat 9 Literature 9.1 Depositor Provided PubMed Citations 4 coun srorostanr [1] [2][2)-|0 Sous ¥ ust) 1970-01 lol ace consntat ae andro Abe sbreeat alns Beatin nt Son outs) Sarena} cacoe Aan 8 sea f pascal ccs 201118760781. Tunariotos. 14 Ae nod ntsc pclae om hn ang oye tarot saan. Sihitinofe aval acy ofatiagunens annus snd anton eA pataeach 19585 198201 man eytomegalovirs, {5786 1982.05.01 Nol antrasnne itor of ante alata ep snunaot mainly 16961 191.0801 airway of lcd anvannonesananaqunan deans Arvo ses019 vacate of enna ity maine eae om pls fot 20051 189.0121 Student lt Ceri pharma bla ‘on vepogsar Pett bof pl sgrgtn tom at souce Anant rmsd ofS aetna 35 1980-05-01 eusitolis and rested compounds produ sree tana. (utenti sos phosphate eyéogeae inhibition and WLC ana ot ou 8 space en ebeve aryetonancrones 92 NUM Curated PubMed Citations A Download ANIM Cunted >ubMed Cations + from PubChem 93 Metabolite References sto 5of9 Pup ses207 2872508 downlad Reference Pastiwicx-Gadek A hlbice, alsinsiW. The ntuence of selected potential oncosatis of plant gn onthe protein Bosynthess invite Pol) Pharmacol Pham. 1986 Marr "85-90, eidamann A Volner W, Meng U Genotonicy of aloeeracin in ito and in vive, Must Rs, 1986 Mar 1.307)!125-35 Galsnei Wi, Chabic )Ptehiewce Gadek A, MarcnkewicrC Gina A The substances of plant rig that init poten bceythe Acta Pol Pharm, 1996 Sep-oct 888) 311-8, Xu F.Us ¥ Dang H, Song R nang 2: Pharmacokinetic comparison in aso si: bioctive compounds between Oa-Cheng-Ci decoction and its paren herb ‘iedicines, Nat roa Commun 2010 May55} 795-00 Zan 8, hi lang T, ls}, MY, Cheng N: Simultaneous quantification of multiple active companats rm Xai decoction nat psa by LC-SIMSMS {pplication in phatmacabinetes Biomed chromatagy. 2011 L2(F:81626 do 10 002/bme 1821. ove 2010 Se 2? pejcrrschn nh governance bam Soseat 00 10 Patents 10.1 Depositor-Supplied Patent Identifiers sroroota22 [1 |/2|/3)-)33 NOVEL DERIWATWES OF B10-AFFECTING PHENOLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION CONTAINING ‘ew roneea70 [P0183487 | VITAMIN-CONTAINING SKN CARE OINTMENT. 0234084 Avbber compestion an atc of rubber reinforced with brass lated sel and 2 mathod of mating such an arte 0528775 Processes for preparation of ale products products produced thereby and compostins there EPORSGAG4 PROCESS FOR PREPARATION OF ALOE PRODUCTS, EPOR62840 ALOE COMPOSITIONS AND USES THEREOF. EPOKS4058_ USE.OF ANTHRAQUINONE DERWATWES INTHE PROPHYLAXIS AND TREATMENT OF VIRAL DISEASES 0520614. Procas forthe preparation of dacetynin 0525075 ANTHRAUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA, EPOSAAEGO METHOD OF PREPARING DIACETY. HEN pejcrrschn nh governance bam Soseat download Submitted Date Granted Date 1960-0226 1985-0227 1967-09-02 1960-0828, 1990-02-05, 1990-0822 1ap1-1080 982-1280 993-0208 1993-0609 5986-08-21 sent-1020 senn-1020 samen sa88-06-7 sa86-0803, samtos.25 san6-08093 11 Biological Test Results 11.1 BioAssay Results Thete/Amize Download 11 (630) Atv(S2)_— conch) Inactve(265)_Unspectosst srorootso [1 |/2|/3)./ 68 © paawty . Activity Activity Value [pM] Substance SID SioAssry AID. BioAssay Name get acive sono (1 Nthumsn tum lie growth inion aay. Ost forthe NCLH2S Non-Small al Lng cline rea suc la Nthumsan sur cline growth inition aay, Oat forthe NCLH226 Non-Small Lng cline ace san0 Ncthumsn tur celine grt nhibon say Oat forthe NCLSZ2M Non-Sl Cl see . Lng ellie ae isis : Nethuman sur cline grout inion aay, Ost forthe NCAAGO Non-Small ce sno |s Nthumsn um line growth inion assy. Ost fr the HOP-62 Non Sal Cal ° Lug celine Ts coco Nthuman cum celle grt ibon aay Oat forthe HOP-18 Non Sal Cel rei sasaso a Nthuman unr line growth inition asta. Oat fr the HOP-$2 Non-Small Cel Lug elie race scons Nethuman cum celine grt nibton aay. Oat forthe NCI+S22Non-SmallCall vce sasaso ” Ncthuman tu line gronth inition atay. Oat forthe XFL 528 Non-Small Lg elie ace scone Ncthuman tumor ellie growth inhibition aay. Oat forthe ASAY/ATEC Non-Small Cll wesrpanaloaadnbecen- Herman Sava > irom nb 12 Classification 12.1 Ontologies 12.1.1 MeSH Tree toot shoe enodin 12.12 Cheal Ontology Aloe eosin 12.1.3 UPIO MAPS Classification to tot 12.14 KEGG: Lipid Now-emadin 12.15 KEGG: Phytochemical Compounds Aloe-amodin 12.1.6 wPO IPC trosootm [1 |/2|/ 3). GTPT/06- Ants ASTPT VOB Bronchodltos pejcrrschin i goverpurcheanademato: bam Svea hetnanstyae heta/anayze hetnesnnstyze hetaranayze het aranayze RetnesAnstyze Edownlons eee view download ee View download eee view Ldownlosd eo eeview > rom KEG download BriceView t downless ser1308 se1er700. aster serr1708. asionin. asin. 6191900. arora ofthe prostate for weating wounds, les, buns, ers, elie ofthe tke Aotpsoratie Antnee agents Emollers or protcives 2g, 2gnnst ration Drage tor shletal sors forjin itor 9 ahi. aro pejcrrschn nh governance bam Soseat 13 Information Sources 1. ChemiDpls /source/ChemIDplus Inge min gorehenpi 20481721 hema gach 20481721 2 EPA DSStox source/EPA DSSt0x Abs sen amps op gvebned store earh=DTXSIO200685 hps/omstr apa ganas 4 Furopean Chemicals Agency - ECHA /source/European Chemicals Agency ~ ECHA sayy 3 yranmerortraganone Igeebanurpasy hapa ‘amy 3 ysranmen/artaqane gee cupan/fomatin en hry dts seta S033 Ms: fcharepaeufnfratn on chemise dla ily S823 4 Human Metabolome Database /source/Human Metabolome Database gn hd cameos MOSIOR28 s/n MHDE20529 ‘5 FDA/SPL Indexing Data /source/FDA/SPL Indexing Data gan go Ferry Detonation ten Ungusnesensen er UN ipsa (Feeds DtStndert Sabana en UngoengrdertetteN 6 NIST /source/NIST 3 o-Anacenesone ya 3yaogmetye- gn goat hon nt geneity 1.Wikipedia /source/Wikipedia ese wtpsiaorgik/Ao enon psn montage ein 4 Pubchem Dat deposed no caput by PubChem Inysncbam nein gor hipster nding 8 MeSH /source/MeSH gst go/mes/SSI857 Rep/eri ingones/SSI827 pm nin govmeenecame eM: ningun 10. ChEBI /source/ChEB! ‘nes onogy hapa artonstonard ot h/t te ueraraterard eo tCACEN2IO ry 11 KEGG /source/KEGS is mn one nf bate C802 p/m rare Bi aer002 Pipestone! Compr apn geno Set nf bette 003 p/p aetr003 12 LIPID MAPS /source/LIPID MAPS 10 MAPS etetan stem fr ts hte propo saistcioM stone ate Mian lpimanserg/staoatetenM cast en phe 14 WPO /source/WIPO nerona Pater Clason g/min ip Usenet wiga nasser! pejcrrschn nh governance bam Soseat