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CHEBI:66209 - terpendole J

ChEBI IDCHEBI:66209
ChEBI Nameterpendole J
Stars
DefinitionAn organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase.
Last Modified11 July 2013
DownloadsMolfile
FormulaC32H43NO5
Net Charge0
Average Mass521.698
Monoisotopic Mass521.31412
SMILES[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@H](C(C)(C)OCC=C(C)C)[C@@H](O)[C@@]5([H])O[C@@]345)[C@@]1(C)c1nc3ccccc3c1C2
InChIInChI=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
InChIKeyGLVMTITYOKYZRQ-JSVBYLJXSA-N
Species of MetaboliteComponentSourceComments
Albophoma yamanashiensis (fungorum:412380) - PubMed (7592023)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:7398699Reaxys
Citations