Deoxyschisandrin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL490126 | |
| PubChem: | 9802006 | |
| IUPAC: | (9S,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene | |
| Standard InChI: | InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14-/m0/s1 | |
| Standard InChI Key: | JEJFTTRHGBKKEI-KBPBESRZSA-N | |
| SMILES: | COc1c2c(C[C@H](C)[C@H](Cc3c2c(OC)c(c(c3)OC)OC)C)cc(c1OC)OC | |
Molecular propeties
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| AlogP: | 4.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 416.22 | |
| Topological polar surface area: | 55.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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