Molecule ID: 70698101

IUPAC Name: 2-methyl-6-[(1R,2E)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one

Description: The molecule is a diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 2-methyl-4-oxohept-2-en-6-yl group at position 1. It has been isolated from the Hainan soft coral Lobophytum cristatum. It has a role as a coral metabolite. It is a diterpenoid and an enone.

SMILES: C=C1/C=C/[C@@H](C(C)CC(=O)C=C(C)C)CCC(C)=CCC1

SELFIES: [C][=C][/C][=C][/C@@H1][Branch1][S][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][C][C][Branch1][C][C][=C][C][C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H30O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,13,18-19H,3,6-7,10,12,14H2,1-2,4-5H3/b11-9+,17-8?/t18?,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 5.3