CHEBI:66211 - terpendole L

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name terpendole L
ChEBI ID CHEBI:66211
Definition A natural product found in Albophoma yamanashiensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H49NO5
Net Charge 0
Average Mass 587.78870
Monoisotopic Mass 587.36107
InChI InChI=1S/C37H49NO5/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(39)34(7,35(23,8)30(24)38-25)16-15-26-37(36)32(43-37)29-31(40-26)33(5,6)42-27(41-29)18-21(3)4/h9-12,18,23,26-27,29,31-32,38-39H,13-17,19H2,1-8H3/t23-,26-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1
InChIKey LLRYILBJBZFIRA-YPNCZJMTSA-N
SMILES [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3cccc(CC=C(C)C)c3c1C2
Metabolite of Species Details
Albophoma yamanashiensis (IF:412380) 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.
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 L (CHEBI:66211) has role EC 2.3.1.26 (sterol O-acyltransferase) inhibitor (CHEBI:64696)
terpendole L (CHEBI:66211) has role metabolite (CHEBI:25212)
terpendole L (CHEBI:66211) is a cyclic acetal (CHEBI:59770)
terpendole L (CHEBI:66211) is a epoxide (CHEBI:32955)
terpendole L (CHEBI:66211) is a organic heterooctacyclic compound (CHEBI:38165)
terpendole L (CHEBI:66211) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-tetramethyl-9-(3-methylbut-2-en-1-yl)-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol
Registry Number Type Source
7401070 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7592023 PubMed citation Europe PMC
Last Modified
11 July 2013