Molecule ID: 146162294

IUPAC Name: 3-[(1R,2R,4aS,7S,8aR)-4,7-dimethyl-1-[(E)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one

Description: The molecule is an aromatic ketone, a carbobicyclic compound, an ilicicolin, a monohydroxypyridine, a member of octahydronaphthalenes, a member of phenols and a pyridone.

SMILES: C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@@H]1C(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O

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

InChI: InChI=1S/C27H31NO4/c1-4-5-20-21-12-15(2)6-11-19(21)16(3)13-22(20)25(30)24-26(31)23(14-28-27(24)32)17-7-9-18(29)10-8-17/h4-5,7-10,13-15,19-22,29H,6,11-12H2,1-3H3,(H2,28,31,32)/b5-4+/t15-,19+,20+,21-,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 5.0