Lancerin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2436932 | |
| PubChem: | 73346479 | |
| IUPAC: | 1,3,7-trihydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C19H18O11/c20-5-11-14(25)15(26)16(27)19(29-11)30-17-9(23)4-8(22)12-13(24)7-3-6(21)1-2-10(7)28-18(12)17/h1-4,11,14-16,19-23,25-27H,5H2/t11-,14-,15+,16-,19+/m0/s1 | |
| Standard InChI Key: | LHOFSAMRRKVGMM-GKYWSENQSA-N | |
| SMILES: | OC[C@@H]1O[C@H](Oc2c(O)cc(c3c2oc2ccc(cc2c3=O)O)O)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 422.08 | |
| Topological polar surface area: | 186 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.316 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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