Pukateine; (R)-form, Me ether
AlkaPlorer ID: AK311623
Synonym: 11-Methoxy-1,2-methylenedioxyaporphine, O-Methylpukateine
IUPAC Name: 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=C1C(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
InChIKey: SKQCMMAAFNFEPY-UHFFFAOYSA-N
Reference
Alcaloïdes des Annonacees LXXII, Alcaloïdes du Guatteria sagotiana
PubChem CID: 44447994
LOTUS: LTS0027418
COCONUT: CNP0414765.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia calycina | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Laurelia novae-zelandiae | Laurelia | Atherospermataceae | Laurales | 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 D1 receptor | IC50 | 100000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 100000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine transporter | IC50 | 32000.0 | nM | 10.1021/jm060959i |