CAF-603 (CHEBI:65546)

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ChEBI Name	CAF-603

ChEBI ID	CHEBI:65546

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O2

Net Charge

Average Mass

238.36570

Monoisotopic Mass

238.19328

InChI

InChI=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

InChIKey

WBVHJGBFCZGJRZ-CBBWQLFWSA-N

SMILES

[H][C@@]12CCC(C)=CC[C@@]1(C)C[C@H](O)[C@@]2(O)C(C)C

Metabolite of Species	Details
Gliocladium virens (NCBI:txid29875)	of strain IFO 9166 See: PubMed

Roles Classification
Biological Role(s):	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	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 Number	Type	Source
105772-90-5	CAS Registry Number	ChemIDplus

Last Modified

29 November 2012