Oxocularine
AlkaPlorer ID: AK032965
Synonym: None
IUPAC Name: 5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
Structure
SMILES: COC1=CC2=C(C=C1OC)C(=O)C1=C3C(=C(OC)C=CC3=CC=N1)O2
InChI: InChI=1S/C19H15NO5/c1-22-12-5-4-10-6-7-20-17-16(10)19(12)25-13-9-15(24-3)14(23-2)8-11(13)18(17)21/h4-9H,1-3H3
InChIKey: AGKDNGLOUYCNMU-UHFFFAOYSA-N
Reference
Cularine, Cancentrine, and Quettamine Alkaloids
PubChem CID: 73044
CAS: 3395-23-1
LOTUS: LTS0025367
SuperNatural Ⅲ: SN0004947
COCONUT: CNP0316849
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcocapnos crassifolia | Sarcocapnos | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.331
TPSA？: 66.88000000000001
MolLogP？: 3.5973000000000024
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine transporter | IC50 | 100000.0 | nM | 10.1021/np50124a001 |