Dysoline
AlkaPlorer ID: AK000781
Synonym: None
IUPAC Name: 5,7-dihydroxy-6-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one
Structure
SMILES: CC1=CC(=O)C2=C(O1)C=C(C(=C2O)[C@H]3CCN(C[C@H]3O)C)O
InChI: InChI=1S/C16H19NO5/c1-8-5-10(18)15-13(22-8)6-11(19)14(16(15)21)9-3-4-17(2)7-12(9)20/h5-6,9,12,19-21H,3-4,7H2,1-2H3/t9-,12+/m0/s1
InChIKey: PXUUTWRMWAPTOI-JOYOIKCWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum binectariferum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.33
TPSA？: 94.14
MolLogP？: 1.2926199999999997
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-1080 | Inhibition | 47.0 | % | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | HT-1080 | Inhibition | 83.0 | % | 10.1016/j.ejmech.2021.113165 |