Molecule ID: 10092969

IUPAC Name: 4,7,8,9-tetrahydroxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one

Description: The molecule is an organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. 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 an organic heterotetracyclic compound, a cyclic ketone, a polyphenol and a cyclic ether.

SMILES: C=C(C)C1Cc2c(cc3oc4c(O)c(O)c(O)c(CC=C(C)C)c4c(=O)c3c2O)O1

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

InChI: InChI=1S/C23H22O7/c1-9(2)5-6-11-16-20(26)17-15(30-23(16)22(28)21(27)19(11)25)8-14-12(18(17)24)7-13(29-14)10(3)4/h5,8,13,24-25,27-28H,3,6-7H2,1-2,4H3

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 5.3