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Benzoylgomisin H

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL519932
PubChem: 44575227
IUPAC: (10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate
Standard InChI: InChI=1S/C30H34O8/c1-17-13-19-14-21(33-3)26(36-6)28(38-29(31)18-11-9-8-10-12-18)23(19)24-20(16-30(17,2)32)15-22(34-4)25(35-5)27(24)37-7/h8-12,14-15,17,32H,13,16H2,1-7H3
Standard InChI Key: AZQOQICAWOAGEN-UHFFFAOYSA-N
SMILES: COc1c(OC)cc2c(c1OC(=O)c1ccccc1)c1c(cc(c(c1OC)OC)OC)CC(C(C2)C)(C)O

Molecular propeties

AlogP: 5.1
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 1
Rotatable bonds: 7
Number of rings: 4
Molecular Weight: 522.23
Topological polar surface area: 92.7
Number of aromatic rings: 3
Fsp3: 0.367
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.