CHEBI:65825 - elaeodendroside B

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ChEBI Name elaeodendroside B
ChEBI ID CHEBI:65825
Definition A steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H40O8
Net Charge 0
Average Mass 516.62310
Monoisotopic Mass 516.27232
InChI InChI=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
InChIKey GKRZHFATSIESKX-VXCHEOLLSA-N
SMILES [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])OCC[C@H](OC)[C@]1(O)O2
Metabolite of Species Details
Elaeodendron glaucum (IPNI:160672-1) Found in seed (BTO:0001226). See: DOI
Elaeodendron tangenala (NCBI:txid123414) Found in xylem (BTO:0001468). Previous component: wood; See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
3599480 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17547460 PubMed citation Europe PMC
Last Modified
17 January 2013