Molecule ID: 51041098

IUPAC Name: (1S,5S,6S,7S,8S,9R,11S)-5,6,8-trimethyl-10,14-dioxatetracyclo[7.4.1.01,6.07,11]tetradec-2-ene

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, an anti-inflammatory agent and a coral metabolite. It is a sesquiterpenoid, an organic heterotetracyclic compound and a cyclic ether.

SMILES: C[C@@H]1[C@@H]2O[C@H]3CC[C@@]4(C=CC[C@H](C)[C@@]4(C)[C@H]13)O2

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

InChI: InChI=1S/C15H22O2/c1-9-5-4-7-15-8-6-11-12(14(9,15)3)10(2)13(16-11)17-15/h4,7,9-13H,5-6,8H2,1-3H3/t9-,10-,11-,12+,13+,14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 18.5 Ų
- LogP: 3.2