Molecule ID: 135440050

IUPAC Name: 2-[(3S)-9-hydroxy-1-methyl-10-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetic acid

Description: The molecule is a member of the class of naphthopyrans that is 4,10-dihydro-3H-naphtho[2,3-c]pyran-3-yl]acetic acid bearing additional methyl, hydroxy and oxo substituents at positions 1, 9 and 10 respectively. It is a polyketide, a naphthopyran, a member of phenols, an aromatic ketone, a cyclic ketone and a monocarboxylic acid.

SMILES: CC1=C2C(=O)c3c(O)cccc3C=C2C[C@@H](CC(=O)O)O1

SELFIES: [C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 2.1