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Schisandrene

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL479899
PubChem: 11613047
IUPAC: [(11S,13R)-3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
Standard InChI: InChI=1S/C29H26O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15,24H,2,10,13-14H2,1,3-4H3/t15-,24+/m1/s1
Standard InChI Key: VBNGAFROWJLPCL-MYYSRTQBSA-N
SMILES: COc1c2OCOc2cc2c1c1c(C[C@H](C(=C)[C@@H]2OC(=O)c2ccccc2)C)cc2c(c1OC)OCO2

Molecular propeties

AlogP: 5.47
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 0
Rotatable bonds: 4
Number of rings: 6
Molecular Weight: 502.16
Topological polar surface area: 81.7
Number of aromatic rings: 3
Fsp3: 0.276
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
FructusSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.