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CHEBI:65546 - CAF-603

ChEBI IDCHEBI:65546
ChEBI NameCAF-603
Stars
DefinitionA sesquiterpenoid that is 1,2,3,3a,4,5,8,8a-octahydroazulene substituted by hydroxy groups, isopropyl and methyl groups at positions 1, 2, 1, 3a and 6 respectively. It is isolated from the culture broth of Gliocladium virens and exhibits antifungal activity.
Last Modified29 November 2012
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]12CCC(C)=CC[C@@]1(C)C[C@H](O)[C@@]2(O)C(C)C
InChIInChI=1S/C15H26O2/c1-10(2)15(17)12-6-5-11(3)7-8-14(12,4)9-13(15)16/h7,10,12-13,16-17H,5-6,8-9H2,1-4H3/t12-,13+,14+,15-/m1/s1
InChIKeyWBVHJGBFCZGJRZ-CBBWQLFWSA-N
Species of MetaboliteComponentSourceComments
Gliocladium virens (ncbitaxon:29875) - PubMed (2292685) Strain: IFO 9166
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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)
CAF-603 (CHEBI:65546) has role antifungal agent (CHEBI:35718)
CAF-603 (CHEBI:65546) has role metabolite (CHEBI:25212)
CAF-603 (CHEBI:65546) is a carbobicyclic compound (CHEBI:36785)
CAF-603 (CHEBI:65546) is a secondary alcohol (CHEBI:35681)
CAF-603 (CHEBI:65546) is a sesquiterpenoid (CHEBI:26658)
CAF-603 (CHEBI:65546) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2S,3aS,8aR)-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulene-1,2-diol
Registry NumbersSources
CAS:105772-90-5ChemIDplus
Citations