Molecule ID: 71448961

IUPAC Name: (4aR,6S,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-ol

Description: The molecule is an organic heterotricyclic compound that is (4aR,8aR)-8a-methyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan substituted by a methyl group, methylidene group and a hydroxy group at positions 3, 5 and 6S, respectively. It is a sesquiterpenoid isolated from the plant, Atractylodes lancea. It has a role as a mouse metabolite and a plant metabolite. It is a sesquiterpenoid, an organic heterotricyclic compound and an organic hydroxy compound.

SMILES: C=C1[C@@H](O)CC[C@]2(C)Cc3occ(C)c3C[C@@H]12

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

InChI: InChI=1S/C15H20O2/c1-9-8-17-14-7-15(3)5-4-13(16)10(2)12(15)6-11(9)14/h8,12-13,16H,2,4-7H2,1,3H3/t12-,13-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 33.4 Ų
- LogP: 2.5