Molecule ID: 135563653

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

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

SMILES: COc1cc2oc(=O)c3c(O)cc(O)cc3c2c(C)c1Cl

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

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

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