Molecule ID: 53354913

IUPAC Name: (1S,8S,9R)-8-ethenyl-1,5-dihydroxy-4,9,10-trimethoxytricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-12-one

Description: The molecule is an organic heterotricyclic compound found in Pterocarpus santalinus. It has a role as a metabolite and a plant metabolite. It is an organic heterotricyclic compound, an aromatic ether, a cyclic ketone, a member of phenols, a tertiary alcohol and a tertiary alpha-hydroxy ketone.

SMILES: C=C[C@H]1c2cc(O)c(OC)cc2[C@@]2(O)C[C@]1(OC)C(OC)=CC2=O

SELFIES: [C][=C][C@H1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C@@][Branch1][C][O][C][C@][Ring1][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][O][=O]

InChI: InChI=1S/C18H20O6/c1-5-11-10-6-13(19)14(22-2)7-12(10)17(21)9-18(11,24-4)16(23-3)8-15(17)20/h5-8,11,19,21H,1,9H2,2-4H3/t11-,17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 1.0