Molecule ID: 11723631

IUPAC Name: 15,15,18-trimethyl-2,16-dioxatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,9,12(17),13,18-octaene-7,19-diol

Description: The molecule is an organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity. It has a role as a metabolite and an antimycobacterial drug. It is a polyphenol, a cyclic ether and an organic heterotetracyclic compound.

SMILES: Cc1c(O)c2c(c3c1OC(C)(C)C=C3)C=Cc1c(O)cccc1O2

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

InChI: InChI=1S/C20H18O4/c1-11-17(22)19-12(13-9-10-20(2,3)24-18(11)13)7-8-14-15(21)5-4-6-16(14)23-19/h4-10,21-22H,1-3H3

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 4.5