Molecule ID: 51041099

IUPAC Name: (1S,5S,6S,7S,8S,9S)-9-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-2-en-13-one

Description: The molecule is a sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity. It has a role as a neuroprotective agent and a coral metabolite. It is a cyclic ether, an organic heterotricyclic compound, a cyclic ketone, a secondary alcohol and a sesquiterpenoid.

SMILES: C[C@@H]1[C@@H](O)O[C@@]23C=CC[C@H](C)[C@@]2(C)[C@H]1C(=O)CC3

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

InChI: InChI=1S/C15H22O3/c1-9-5-4-7-15-8-6-11(16)12(14(9,15)3)10(2)13(17)18-15/h4,7,9-10,12-13,17H,5-6,8H2,1-3H3/t9-,10-,12+,13-,14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.0