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CHEBI:65827 - elaeodendroside G

ChEBI IDCHEBI:65827
ChEBI Nameelaeodendroside G
Stars
DefinitionA steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells.
Last Modified17 January 2013
DownloadsMolfile
FormulaC31H42O10
Net Charge0
Average Mass574.667
Monoisotopic Mass574.27780
SMILES[H][C@@]12OCC[C@@H](OC)[C@]1(O)O[C@]1([H])C[C@@]3(C)C(=C[C@@]1([H])O2)CC[C@]1([H])[C@]3([H])CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](OC(C)=O)C[C@]12O
InChIInChI=1S/C31H42O10/c1-16(32)39-23-14-30(34)20-6-5-18-12-21-22(41-31(35)24(36-4)8-10-37-27(31)40-21)13-28(18,2)19(20)7-9-29(30,3)26(23)17-11-25(33)38-15-17/h11-12,19-24,26-27,34-35H,5-10,13-15H2,1-4H3/t19-,20+,21+,22+,23-,24+,26-,27-,28-,29+,30-,31-/m0/s1
InChIKeyNRVDOTUZYZELQD-JJSCBUTHSA-N
Species of MetaboliteComponentSourceComments
Elaeodendron glaucum (IPNI:160672-1) seed (BTO:0001226) DOI (10.1016/S0031-9422(00)81130-9)
Elaeodendron tangenala (ncbitaxon:123414) xylem (BTO:0001468) PubMed (17547460) Previous component: wood;
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
elaeodendroside G (CHEBI:65827) has role antineoplastic agent (CHEBI:35610)
elaeodendroside G (CHEBI:65827) has role metabolite (CHEBI:25212)
elaeodendroside G (CHEBI:65827) is a acetate ester (CHEBI:47622)
elaeodendroside G (CHEBI:65827) is a butenolide (CHEBI:50523)
elaeodendroside G (CHEBI:65827) is a cyclic ether (CHEBI:37407)
elaeodendroside G (CHEBI:65827) is a organic heterohexacyclic compound (CHEBI:51914)
elaeodendroside G (CHEBI:65827) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1R,2S,3aS,3bR,6aR,7aS,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate
Manual XrefsDatabases
23284661ChemSpider
Registry NumbersSources
Reaxys:6580941Reaxys
Citations