Gomisin C

Representations & DB's id
ChEBI:	CHEBI:9048
ChEMBL:	CHEMBL404875
PubChem:	151529
IUPAC:	[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Standard InChI:	InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
Standard InChI Key:	UFCGDBKFOKKVAC-DSASHONVSA-N
SMILES:	COc1cc2c(c(c1OC)OC)c1c(cc3c(c1OC)OCO3)C[C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C

Molecular propeties
AlogP:	4.96
Hydrogen bonds acceptors:	9
Hydrogen bonds donors:	1
Rotatable bonds:	6
Number of rings:	5
Molecular Weight:	536.2
Topological polar surface area:	102
Number of aromatic rings:	3
Fsp3:	0.367
Number of carbons:	30

Plant sources

Part of plant	Plant name	Ref.
Fructus	Schisandra chinensis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Ki	399 nM	Cytochrome P450 3A4	P08684