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CHEBI:66211 - terpendole L

Default Structure
ChEBI IDCHEBI:66211
ChEBI Nameterpendole L
Stars
DefinitionA natural product found in Albophoma yamanashiensis.
Last Modified11 July 2013
DownloadsMolfile
FormulaC37H49NO5
Net Charge0
Average Mass587.801
Monoisotopic Mass587.36107
SMILES[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@]5([H])C(C)(C)O[C@@H](C=C(C)C)O[C@@]5([H])[C@@]5([H])O[C@]354)[C@@]1(C)c1nc3cccc(CC=C(C)C)c3c1C2
InChIInChI=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
InChIKeyLLRYILBJBZFIRA-YPNCZJMTSA-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 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 NumbersSources
Reaxys:7401070Reaxys
Citations