bulbocapnine
AlkaPlorer ID: AK007106
Synonym: 'Bulbocapnine', 'd-Bulbocapnine'
IUPAC Name: (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
Structure
SMILES: COC1=C(O)C2=C(C=C1)C[C@H]1C3=C(C=C4OCOC4=C23)CCN1C
InChI: InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1
InChIKey: LODGIKWNLDQZBM-LBPRGKRZSA-N
Reference
Untersuchungen über die in der Wurzel von Corydalis cava (Schwgg.) enthaltenen Alkaloïde
PubChem CID: 12441
CAS: 298-45-3
LOTUS: LTS0053785
SuperNatural Ⅲ: SN0210866-02
NPASS: NPC114364
Source
Properties Information
Molecule Weight: 325.3640000000001
TPSA？: 51.16
MolLogP？: 2.881600000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine D1 receptor | IC50 | 739.0 | nM | 10.1021/jm00164a022 |
| Rattus norvegicus | Dopamine D1 receptor | IC50 | 740.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 14000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 14047.0 | nM | 10.1021/jm00164a022 |
| Rattus norvegicus | PC-12 | IC50 | 27000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 24.4 | % | 10.1021/jm00164a022 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 85.1 | % | 10.1021/jm00164a022 |
| None | NON-PROTEIN TARGET | Activity | 83.2 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 86.6 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 86.8 | % | 10.1021/np9700735 |
| None | NON-PROTEIN TARGET | Activity | 89.3 | % | 10.1021/np9700735 |