Molecule ID: 184102

IUPAC Name: 4-(hydroxymethyl)-4,8-dimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione

Description: The molecule is a diterpenoid that is 1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione substituted by a hydroxymethyl group at position 4 and methyl groups at positions 4 and 8 respectively. Isolated from Salvia miltiorrhiza, it exhibits platelet aggregation inhibitory activity. It has a role as a metabolite and a platelet aggregation inhibitor. It is an organic heterotetracyclic compound, a cyclic ether, a primary alcohol, a diterpenoid and a member of p-quinones.

SMILES: Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCCC3(C)CO

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

InChI: InChI=1S/C19H18O4/c1-10-8-23-18-14(10)16(21)12-5-6-13-11(15(12)17(18)22)4-3-7-19(13,2)9-20/h5-6,8,20H,3-4,7,9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 67.5 Ų
- LogP: 3.5