Molecule ID: 16737471

IUPAC Name: 1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-ynyl)benzene

Description: The molecule is a methoxybenzene that is 1,2,5-trimethoxy-3-methylbenzene substituted by a 3-methylbut-3-en-1-yn-1-yl group at position 4. It is isolated from Antrodia camphorata and exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent.

SMILES: C=C(C)C#Cc1c(OC)cc(OC)c(OC)c1C

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

InChI: InChI=1S/C15H18O3/c1-10(2)7-8-12-11(3)15(18-6)14(17-5)9-13(12)16-4/h9H,1H2,2-6H3

Molecular Properties:
- Polar Surface Area: 27.7 Ų
- LogP: 4.0