Molecule ID: 70697909

IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,7-dihydroxyxanthen-9-one

Description: The molecule is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7, an oxo group at position 9 and a geranyloxy group at position 3. It has been isolated from the stems of Cratoxylum cochinchinense. It has a role as a metabolite and a plant metabolite. It is a member of xanthones, a member of phenols and an aromatic ether.

SMILES: CC(C)=CCC/C(C)=C/COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1

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

InChI: InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-12-19(25)22-21(13-17)28-20-8-7-16(24)11-18(20)23(22)26/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 6.1