CHEBI:144410 - terpendole C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name terpendole C
ChEBI ID CHEBI:144410
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C32H41NO5
Net Charge 0
Average Mass 519.682
Monoisotopic Mass 519.29847
InChI InChI=1S/C32H41NO5/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/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKey WUOATFFODCBZBE-SCGIUCFSSA-N
SMILES CC1(C)[C@]2(O[C@]3(CC[C@]4(C)[C@@]5(C)C6=C(C7=CC=CC=C7N6)C[C@]5([H])CC[C@]4([C@@]38[C@@]([C@@]2(O[C@@H](O1)C=C(C)C)[H])(O8)[H])O)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
Albophoma yamanashiensis (NCBI:txidtxid1635095) Found in cell suspension culture (BTO:0000221). See: PubMed
ChEBI Ontology
Outgoing terpendole C (CHEBI:144410) is a organic heterotricyclic compound (CHEBI:26979)
terpendole C (CHEBI:144410) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-3H,5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol
Synonym Source
(−)-terpendole C KNApSAcK
Manual Xrefs Databases
C00016436 KNApSAcK
C20546 KEGG COMPOUND
CPD-17198 MetaCyc
View more database links
Registry Number Type Source
156967-65-6 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
22750140 PubMed citation Europe PMC
30011204 PubMed citation Europe PMC
7868384 PubMed citation Europe PMC
IND20632299 Agricola citation Europe PMC
Last Modified
03 October 2019