Pukateine; (R)-form
AlkaPlorer ID: AK311619
Synonym: None
IUPAC Name: 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: CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC(O)=C13
InChI: InChI=1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3
InChIKey: IKMXUUHNYQWZBC-UHFFFAOYSA-N
Reference
Additional alkaloids from Laurelia philippiana and L. novae-zelandiae
PubChem CID: 3496768
CAS: 81-67-4
LOTUS: LTS0260008
COCONUT: CNP0263091.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurelia novae-zelandiae | Laurelia | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.338
TPSA？: 41.93000000000001
MolLogP？: 2.8730000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Cerebrum | IC50 | 15000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D1 receptor | IC50 | 400.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 600.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine transporter | IC50 | 46000.0 | nM | 10.1021/jm060959i |