Molecule ID: 10376935

IUPAC Name: (1R,2S,3aS,8aR)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol

Description: The molecule is 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. It has a role as a metabolite and an antifungal agent. It is a sesquiterpenoid, a carbobicyclic compound, a secondary alcohol and a tertiary alcohol.

SMILES: CC1=CC[C@@]2(C)C[C@H](O)[C@@](O)(C(C)C)[C@@H]2CC1

SELFIES: [C][C][=C][C][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Ring1][O][C][C][Ring1][S]

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

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 2.6