Tsangin C
Representations & DB's id
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| ChEBI: | CHEBI:69320 | |
|---|---|---|
| ChEMBL: | CHEMBL1821992 | |
| PubChem: | 56661913 | |
| IUPAC: | [(1R,2S)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 3,4,5-trimethoxybenzoate | |
| Standard InChI: | InChI=1S/C24H30O9/c1-13(14(2)25)21(15-9-17(27-3)22(31-7)18(10-15)28-4)33-24(26)16-11-19(29-5)23(32-8)20(12-16)30-6/h9-13,21H,1-8H3/t13-,21-/m1/s1 | |
| Standard InChI Key: | IGPMFSHAEMUEMC-LRTDBIEQSA-N | |
| SMILES: | COc1c(OC)cc(cc1OC)C(=O)O[C@H]([C@@H](C(=O)C)C)c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 3.86 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 11 | |
| Number of rings: | 2 | |
| Molecular Weight: | 462.19 | |
| Topological polar surface area: | 98.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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