Dehydronuciferine
AlkaPlorer ID: AK013761
Synonym: None
IUPAC Name: 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
Structure
SMILES: COC1=C(OC)C2=C3C=CC=CC3=CC3=C2C(=C1)CCN3C
InChI: InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3
InChIKey: JBGSWIBJAGBGOP-UHFFFAOYSA-N
Reference
ALCALOÏDES ET COMPOSES POLYPHENOLIQUES DU<i>COLUBRINA FARALAOTRA</i>SSP.<i>TRICHOCARPA</i>
PubChem CID: 821347
LOTUS: LTS0122982
SuperNatural Ⅲ: SN0160848
NPASS: NPC285941
COCONUT: CNP0135005
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 293.36600000000004
TPSA？: 21.700000000000003
MolLogP？: 4.002500000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Inhibition | 69.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | ADMET | Inhibition | 77.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | IC50 | 85000.0 | nM | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 4.8 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 8.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 11.8 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 14.5 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 78.4 | % | 10.1016/j.bmc.2012.11.038 |