Teucvin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL521585 | |
| PubChem: | 179592 | |
| IUPAC: | (1S,5'S,8S,9R,10R)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione | |
| Standard InChI: | InChI=1S/C19H20O5/c1-10-7-14-16-12(17(20)23-14)3-2-4-13(16)19(10)8-15(24-18(19)21)11-5-6-22-9-11/h5-6,9-10,13-15H,2-4,7-8H2,1H3/t10-,13+,14+,15+,19-/m1/s1 | |
| Standard InChI Key: | XJRMFKRYVTYFPN-UISQBHBMSA-N | |
| SMILES: | O=C1O[C@@H]2C3=C1CCC[C@@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1 | |
Molecular propeties
| ||
| AlogP: | 3.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 328.13 | |
| Topological polar surface area: | 65.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.526 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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