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Schisantherin B

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1867703
PubChem: 16745516
IUPAC: [(8R,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] (Z)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26+,28-/m0/s1
Standard InChI Key: BKGUPIVDQHHVMV-WTVLMFSLSA-N
SMILES: C/C=C(C(=O)O[C@@H]1c2cc(OC)c(c(c2c2c(C[C@@H]([C@]1(C)O)C)cc1c(c2OC)OCO1)OC)OC)/C

Molecular propeties

AlogP: 4.61
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 514.22
Topological polar surface area: 102
Number of aromatic rings: 2
Fsp3: 0.464
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.