Molecule ID: 9820848

IUPAC Name: 10-chloro-5,9,11-trihydroxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione

Description: The molecule is a naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by a chloro group at position 10, hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from a fungal strain Phoma sp.BAUA2861 and acts as an inhibitor of the enzyme topoisomerase I. It has a role as a metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antiviral agent, an antineoplastic agent and an antimicrobial agent. It is an organochlorine compound, a naphthochromene, a member of phenols and a member of p-quinones.

SMILES: Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)c1c(cc(O)c(Cl)c1O)C3=O

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

InChI: InChI=1S/C18H9ClO7/c1-5-2-8(20)13-9(21)3-7-12(18(13)26-5)16(24)11-6(15(7)23)4-10(22)14(19)17(11)25/h2-4,21-22,25H,1H3

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 3.5