Sinomenine
AlkaPlorer ID: AK001979
Synonym: '', '14-Episinomenine', 'Cucoline', 'Kukoline', 'sinomenine', 'Sinomenine', 'MLSMR', 'Kukoline hydrochloride', 'MLS001360420', 'SMR001223871', 'Cucoline hydrochloride'
IUPAC Name: (1S,9R,10R)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Structure
SMILES: COC1=C[C@H]2[C@H]3CC4=CC=C(OC)C(O)=C4[C@@]2(CCN3C)CC1=O
InChI: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m0/s1
InChIKey: INYYVPJSBIVGPH-QUJCMNEKSA-N
Reference
New Morphinane and Hasubanane Alkaloids from <i>Stephania cepharantha</i>
PubChem CID: 1403659
LOTUS: LTS0031994
SuperNatural Ⅲ: SN0150636-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stephania cephalantha | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.39600000000013
TPSA？: 59.0
MolLogP？: 2.0181
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 3A4 | Potency | 31622.8 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 14125.4 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 44668.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 7499.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 21136.0 | nM | None |
| None | Unchecked | Potency | 39810.7 | nM | None |