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CHEBI:66210 - terpendole K

Default Structure
ChEBI IDCHEBI:66210
ChEBI Nameterpendole K
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
FormulaC32H39NO5
Net Charge0
Average Mass517.666
Monoisotopic Mass517.28282
SMILES[H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@]5([H])C(C)(C)O[C@@H](C=C(C)C)O[C@@]5([H])[C@@]5([H])O[C@]435)[C@@]1(C)c1nc3ccccc3c1C2
InChIInChI=1S/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKeyLUGOSEHTWGECJM-KYKWBTGESA-N
Species of MetaboliteComponentSourceComments
Albophoma yamanashiensis (fungorum:412380) - PubMed (7592023)
Roles Classification
Biological Roles:
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
terpendole K (CHEBI:66210) has role EC 2.3.1.26 (sterol O-acyltransferase) inhibitor (CHEBI:64696)
terpendole K (CHEBI:66210) has role metabolite (CHEBI:25212)
terpendole K (CHEBI:66210) is a cyclic acetal (CHEBI:59770)
terpendole K (CHEBI:66210) is a epoxide (CHEBI:32955)
terpendole K (CHEBI:66210) is a organic heterooctacyclic compound (CHEBI:38165)
terpendole K (CHEBI:66210) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol
Registry NumbersSources
Reaxys:7400022Reaxys
Citations