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CHEBI:194192 - verrucosan-2β-ol

ChEBI IDCHEBI:194192
ChEBI Nameverrucosan-2β-ol
Stars
ASCII Nameverrucosan-2beta-ol
DefinitionA diterpenoid isolated from Chloroflexus aurantiacus.
Last Modified20 January 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12C[C@]3(C)CC[C@@]4(C)CC[C@@H](C(C)C)[C@]4([H])[C@@]3([H])[C@H](O)[C@]1(C)C2
InChIInChI=1S/C20H34O/c1-12(2)14-6-7-18(3)8-9-19(4)10-13-11-20(13,5)17(21)16(19)15(14)18/h12-17,21H,6-11H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+/m0/s1
InChIKeyQQHDEGUZXBOWLH-HXCJBJRFSA-N
Species of MetaboliteComponentSourceComments
Chloroflexus aurantiacus (ncbitaxon:1108) - PubMed (9660767)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
verrucosan-2β-ol (CHEBI:194192) has role bacterial metabolite (CHEBI:76969)
verrucosan-2β-ol (CHEBI:194192) is a carbotetracyclic compound (CHEBI:177332)
verrucosan-2β-ol (CHEBI:194192) is a diterpenoid (CHEBI:23849)
verrucosan-2β-ol (CHEBI:194192) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1S,3aR,5aS,6aS,7aR,8S,8aR,8bR)-3a,5a,7a-trimethyl-1-(propan-2-yl)tetradecahydrocyclopenta[a]cyclopropa[g]naphthalen-8-ol
Synonyms  Source
(−)-verrucosan-2β-olChEBI
verrucosane-2β-olChEBI
UniProt Name  Source
verrucosan-2β-olUniProt
Manual XrefsDatabases
CPD-26031MetaCyc
Citations