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CHEBI:65825 - elaeodendroside B

ChEBI IDCHEBI:65825
ChEBI Nameelaeodendroside B
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
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
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)CC[C@]12O
InChIInChI=1S/C29H40O8/c1-26-14-22-21(36-25-29(32,37-22)23(33-3)8-11-34-25)13-17(26)4-5-20-19(26)6-9-27(2)18(7-10-28(20,27)31)16-12-24(30)35-15-16/h12-13,18-23,25,31-32H,4-11,14-15H2,1-3H3/t18-,19+,20-,21-,22-,23+,25+,26+,27-,28+,29+/m1/s1
InChIKeyGKRZHFATSIESKX-VXCHEOLLSA-N
Species of MetaboliteComponentSourceComments
Elaeodendron tangenala (ncbitaxon:123414) xylem (BTO:0001468) PubMed (17547460) Previous component: wood;
Elaeodendron glaucum (IPNI:160672-1) seed (BTO:0001226) DOI (10.1016/S0031-9422(00)81130-9)
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 B (CHEBI:65825) has role antineoplastic agent (CHEBI:35610)
elaeodendroside B (CHEBI:65825) has role metabolite (CHEBI:25212)
elaeodendroside B (CHEBI:65825) is a butenolide (CHEBI:50523)
elaeodendroside B (CHEBI:65825) is a cyclic ether (CHEBI:37407)
elaeodendroside B (CHEBI:65825) is a lactol (CHEBI:38131)
elaeodendroside B (CHEBI:65825) is a organic heterohexacyclic compound (CHEBI:51914)
elaeodendroside B (CHEBI:65825) is a steroid lactone (CHEBI:26766)
elaeodendroside B (CHEBI:65825) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-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-1-yl]furan-2(5H)-one
Registry NumbersSources
Reaxys:3599480Reaxys
Citations