Schisandrin C
Representations & DB's id
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| ChEBI: | CHEBI:10044 | |
|---|---|---|
| ChEMBL: | CHEMBL437412 | |
| PubChem: | 443027 | |
| IUPAC: | (12S,13R)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene | |
| Standard InChI: | InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+ | |
| Standard InChI Key: | HTBWBWWADZJXID-TXEJJXNPSA-N | |
| SMILES: | COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2 | |
Molecular propeties
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| AlogP: | 4.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 384.16 | |
| Topological polar surface area: | 55.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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