Molecule ID: 442809

IUPAC Name: 2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquinones that is p-benzoquinone substituted by a methoxy group at position 2 and a 1-phenylallyl group at position 5. Isolated from the heartwood of Dalbergia louveli, it exhibits antiplasmodial activity. It has a role as a metabolite and an antiplasmodial drug. It is an enol ether and a member of 1,4-benzoquinones.

SMILES: C=C[C@@H](C1=CC(=O)C(OC)=CC1=O)c1ccccc1

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

InChI: InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3/t12-/m1/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 2.7