Molecule ID: 10316935

IUPAC Name: 6,8,17,19-tetrahydroxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one

Description: The molecule is an extended flavonoid that is 5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one substituted by hydroxy groups at positions 1, 3, 8 and 10 and geminal methyl groups at position 5. It is isolated from the tree barks of Artocarpus lanceifolius and exhibits cytotoxicity against human murine leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is an extended flavonoid, an organic heteropentacyclic compound and a polyphenol.

SMILES: CC1(C)Oc2c(O)cc(O)c3c2C1Cc1c-3oc2cc(O)cc(O)c2c1=O

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

InChI: InChI=1S/C20H16O7/c1-20(2)9-5-8-17(25)15-10(22)3-7(21)4-13(15)26-18(8)16-11(23)6-12(24)19(27-20)14(9)16/h3-4,6,9,21-24H,5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.8