Isopiline
AlkaPlorer ID: AK053172
Synonym: None
IUPAC Name: (6aR)-2,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Structure
SMILES: COC1=C(O)C2=C3C(=C1OC)CCN[C@@H]3CC1=CC=CC=C12
InChI: InChI=1S/C18H19NO3/c1-21-17-12-7-8-19-13-9-10-5-3-4-6-11(10)15(14(12)13)16(20)18(17)22-2/h3-6,13,19-20H,7-9H2,1-2H3/t13-/m1/s1
InChIKey: XLXSXOHBVGWKMT-CYBMUJFWSA-N
Reference
Alkaloids of<i>Guatteria diospyroides</i>
PubChem CID: 13891896
LOTUS: LTS0175672
SuperNatural Ⅲ: SN0433829-02
NPASS: NPC173416
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guatteria ouregou | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 297.354
TPSA？: 50.72
MolLogP？: 2.819300000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine D1 receptor | IC50 | 9800.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 30000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine transporter | IC50 | 2500.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine transporter | IC50 | 2500.0 | nM | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 3.9 | None | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 13.6 | None | 10.1021/np50124a001 |