O-methylpukateine
AlkaPlorer ID: AK014444
Synonym: None
IUPAC Name: (12R)-18-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-hexaene
Structure
SMILES: COC1=CC=CC2=C1C1=C3OCOC3=CC3=C1[C@@H](C2)N(C)CC3
InChI: InChI=1S/C19H19NO3/c1-20-7-6-12-9-15-19(23-10-22-15)18-16(12)13(20)8-11-4-3-5-14(21-2)17(11)18/h3-5,9,13H,6-8,10H2,1-2H3/t13-/m1/s1
InChIKey: SKQCMMAAFNFEPY-CYBMUJFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 309.36500000000007
TPSA？: 30.93
MolLogP？: 3.176000000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine transporter | IC50 | 31800.0 | nM | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 3.1 | None | 10.1021/np50124a001 |