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CHEBI:65828 - elaeodendroside T

ChEBI IDCHEBI:65828
ChEBI Nameelaeodendroside T
Stars
DefinitionA steroid lactone isolated from Elaeodendron tangenala and exhibits antiproliferative activity against A2780 human ovarian cancer cells.
Last Modified17 January 2013
DownloadsMolfile
FormulaC32H44O10
Net Charge0
Average Mass588.694
Monoisotopic Mass588.29345
SMILES[H][C@@]12O[C@H](C)C[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/C32H44O10/c1-16-10-25(37-5)32(36)28(39-16)41-22-12-19-6-7-21-20(29(19,3)13-23(22)42-32)8-9-30(4)27(18-11-26(34)38-15-18)24(40-17(2)33)14-31(21,30)35/h11-12,16,20-25,27-28,35-36H,6-10,13-15H2,1-5H3/t16-,20+,21-,22-,23-,24+,25-,27+,28+,29+,30-,31+,32+/m1/s1
InChIKeyCTLHRQFAFGUEQH-HAVIGHGVSA-N
Species of MetaboliteComponentSourceComments
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 T (CHEBI:65828) has role antineoplastic agent (CHEBI:35610)
elaeodendroside T (CHEBI:65828) has role metabolite (CHEBI:25212)
elaeodendroside T (CHEBI:65828) is a acetate ester (CHEBI:47622)
elaeodendroside T (CHEBI:65828) is a butenolide (CHEBI:50523)
elaeodendroside T (CHEBI:65828) is a cyclic ether (CHEBI:37407)
elaeodendroside T (CHEBI:65828) is a organic heterohexacyclic compound (CHEBI:51914)
elaeodendroside T (CHEBI:65828) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1R,2S,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-9,13a,15a-trimethyl-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
20567917ChemSpider
Registry NumbersSources
Reaxys:11195447Reaxys
Citations