Mycosporine Serinol
Representations & DB's id
| ||
| ChEBI: | CHEBI:7039 | |
|---|---|---|
| ChEMBL: | CHEMBL1210424 | |
| PubChem: | 442866 | |
| IUPAC: | (5S)-3-(1,3-dihydroxypropan-2-ylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one | |
| Standard InChI: | InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1 | |
| Standard InChI Key: | VVTDHOIRNPCGTH-NSHDSACASA-N | |
| SMILES: | OCC(NC1=C(OC)C(=O)C[C@](C1)(O)CO)CO | |
Molecular propeties
| ||
| AlogP: | -2.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 261.12 | |
| Topological polar surface area: | 119 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.818 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|