Molecule ID: 10061042

IUPAC Name: 1,6-dihydroxy-4-methoxyxanthen-9-one

Description: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 6 and a methoxy group at position 4. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of xanthones, a polyphenol and an aromatic ether.

SMILES: COc1ccc(O)c2c(=O)c3ccc(O)cc3oc12

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

InChI: InChI=1S/C14H10O5/c1-18-10-5-4-9(16)12-13(17)8-3-2-7(15)6-11(8)19-14(10)12/h2-6,15-16H,1H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.8