CHEBI:65828 - elaeodendroside T

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ChEBI Name elaeodendroside T
ChEBI ID CHEBI:65828
Definition A steroid lactone isolated from Elaeodendron tangenala 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 C32H44O10
Net Charge 0
Average Mass 588.68580
Monoisotopic Mass 588.29345
InChI InChI=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
InChIKey CTLHRQFAFGUEQH-HAVIGHGVSA-N
SMILES [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])O[C@H](C)C[C@@H](OC)[C@]1(O)O2
Metabolite of Species Details
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 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 Xref Database
20567917 ChemSpider
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Registry Number Type Source
11195447 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17547460 PubMed citation Europe PMC
Last Modified
17 January 2013