Molecule ID: 44586906

IUPAC Name: 3-hydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one

Description: The molecule is a bridged organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one substituted by a hydroxy group at position 7, a methoxy group at position 9 and a methyl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity. It has a role as a metabolite and an antiprotozoal drug. It is a member of phenols, a bridged compound, a cyclic ketal, a cyclic ketone and an organic heteropentacyclic compound.

SMILES: COc1cccc2oc3cc4c(c(O)c3c(=O)c12)C1CCCC(C)(O4)O1

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

InChI: InChI=1S/C20H18O6/c1-20-8-4-7-12(25-20)16-14(26-20)9-13-17(19(16)22)18(21)15-10(23-2)5-3-6-11(15)24-13/h3,5-6,9,12,22H,4,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 3.8