Molecule ID: 10810899

IUPAC Name: 3-[[(4aR,6aR,7R,10aR,10bS)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydrobenzo[f]chromen-7-yl]methyl]-2-methoxy-5,6-dimethylpyran-4-one

Description: The molecule is a diterpenoid isolated from Sesquicillium candelabrum and has been shown to act as a blocker of the voltage-gated potassium channel Kv1.3. It has a role as a metabolite and a potassium channel blocker. It is a diterpenoid, an organic heterotricyclic compound, a cyclic ether, a member of 4-pyranones and a ketene acetal.

SMILES: C=C1CC[C@@H]2[C@](C)(CC[C@H]3OC=CC[C@@]23C)[C@@H]1Cc1c(OC)oc(C)c(C)c1=O

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

InChI: InChI=1S/C25H34O4/c1-15-8-9-20-24(4,12-10-21-25(20,5)11-7-13-28-21)19(15)14-18-22(26)16(2)17(3)29-23(18)27-6/h7,13,19-21H,1,8-12,14H2,2-6H3/t19-,20-,21-,24-,25+/m1/s1

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 5.1