Rohitukine
AlkaPlorer ID: AK003914
Synonym: ''
IUPAC Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one
Structure
SMILES: CC1=CC(=O)C2=C(O)C=C(O)C([C@@H]3CCN(C)C[C@@H]3O)=C2O1
InChI: InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m1/s1
InChIKey: MOCVYVBNJQIVOV-RNCFNFMXSA-N
Reference
PubChem CID: 13422576
CAS: 71294-60-5
LOTUS: LTS0064386
SuperNatural Ⅲ: SN0230840-02
NPASS: NPC235549
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
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 | Cyclin-dependent kinase 9 | IC50 | 300.0 | nM | 10.1021/acs.jmedchem.9b01006 |