Isocorypalmine; (S)-form
AlkaPlorer ID: AK267750
Synonym: None
IUPAC Name: 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
InChI: InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChIKey: KDFKJOFJHSVROC-UHFFFAOYSA-N
Reference
PubChem CID: 10220
CAS: 53447-14-6
LOTUS: LTS0043045
NPASS: NPC295691
COCONUT: CNP0405699.2
data_source: manually
Source
Properties Information
Molecule Weight: 341.40700000000004
TPSA?: 51.16000000000001
MolLogP?: 3.073500000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine D1 receptor | Ki | 15.0 | nM | 10.1016/j.bmc.2016.03.037 |
| Homo sapiens | Dopamine D2 receptor | Ki | 102.0 | nM | 10.1016/j.bmc.2016.03.037 |
| Homo sapiens | Dopamine D3 receptor | Ki | 37.0 | nM | 10.1016/j.bmc.2016.03.037 |
| Homo sapiens | MDA-MB-231 | IC50 | 178000.0 | nM | 10.1016/j.bmc.2016.03.037 |
| Homo sapiens | Sigma opioid receptor | Ki | 106.0 | nM | 10.1016/j.bmc.2016.03.037 |
| None | Unchecked | Ki | 1.0 | nM | 10.1016/j.bmc.2016.03.037 |
| None | Unchecked | Ratio Ki | 2.5 | None | 10.1016/j.bmc.2016.03.037 |
| None | Unchecked | Ratio Ki | 2.8 | None | 10.1016/j.bmc.2016.03.037 |
| None | Unchecked | Ratio Ki | 6.8 | None | 10.1016/j.bmc.2016.03.037 |
| None | Unchecked | Ratio Ki | 106.0 | None | 10.1016/j.bmc.2016.03.037 |
