CHEBI:66209 - terpendole J

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ChEBI Name terpendole J
ChEBI ID CHEBI:66209
Definition An organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H43NO5
Net Charge 0
Average Mass 521.68750
Monoisotopic Mass 521.31412
InChI InChI=1S/C32H43NO5/c1-18(2)13-16-36-28(3,4)26-24(34)27-32(38-27)23(37-26)12-14-29(5)30(6)19(11-15-31(29,32)35)17-21-20-9-7-8-10-22(20)33-25(21)30/h7-10,13,19,23-24,26-27,33-35H,11-12,14-17H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKey GLVMTITYOKYZRQ-JSVBYLJXSA-N
SMILES [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@H]([C@@H](O)[C@@]5([H])O[C@@]345)C(C)(C)OCC=C(C)C)[C@@]1(C)c1[nH]c3ccccc3c1C2
Metabolite of Species Details
Albophoma yamanashiensis (IF:412380) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of acyl-CoA:cholesterol acyltransferase (EC 2.3.1.26).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing terpendole J (CHEBI:66209) has role EC 2.3.1.26 (sterol O-acyltransferase) inhibitor (CHEBI:64696)
terpendole J (CHEBI:66209) has role metabolite (CHEBI:25212)
terpendole J (CHEBI:66209) is a epoxide (CHEBI:32955)
terpendole J (CHEBI:66209) is a organic heteroheptacyclic compound (CHEBI:52157)
terpendole J (CHEBI:66209) is a organonitrogen heterocyclic compound (CHEBI:38101)
terpendole J (CHEBI:66209) is a secondary alcohol (CHEBI:35681)
terpendole J (CHEBI:66209) is a secondary amino compound (CHEBI:50995)
terpendole J (CHEBI:66209) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2S,3R,3aR,4aS,4bS,6aS,12bS,12cR,14aS)-12b,12c-dimethyl-2-{2-[(3-methylbut-2-en-1-yl)oxy]propan-2-yl}-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b-diol
Registry Number Type Source
7398699 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7592023 PubMed citation Europe PMC
Last Modified
11 July 2013