Molecule ID: 46833962

IUPAC Name: 2-chloro-3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one

Description: The molecule is a benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1, chloro group at position 2, hydroxy groups at positions positions 3 and 7, and by a methoxy group at position 9. It has a role as an antifungal agent, a fungal metabolite and an antimicrobial agent. It is a benzochromenone, an aromatic ether, an organic hydroxy compound, a delta-lactone and an organochlorine compound. It derives from a 6H-dibenzo[b,d]pyran-6-one.

SMILES: COc1cc(O)c2c(=O)oc3cc(O)c(Cl)c(C)c3c2c1

SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][C][Ring1][=C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C15H11ClO5/c1-6-12-8-3-7(20-2)4-9(17)13(8)15(19)21-11(12)5-10(18)14(6)16/h3-5,17-18H,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.8