2,3,10,11-Berbinetetrol; (S)-form, 2,3,10-Tri-Me ether
AlkaPlorer ID: AK290529
Synonym: Corytenchine
IUPAC Name: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-11-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CC1C3=CC(OC)=C(OC)C=C3CCN1C2
InChI: InChI=1S/C20H23NO4/c1-23-18-9-14-11-21-5-4-12-8-19(24-2)20(25-3)10-15(12)16(21)6-13(14)7-17(18)22/h7-10,16,22H,4-6,11H2,1-3H3
InChIKey: ZMCOANUSZBGLSK-UHFFFAOYSA-N
Reference
Bio-guided isolation of the cytotoxic corytenchine and isocoreximine from roots of Annona cherimolia
PubChem CID: 9549058
CAS: 18090-68-1
LOTUS: LTS0154759
COCONUT: CNP0231524.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis ochotensis | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 51.16
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 | Activity | -5.16 | % | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D1 receptor | IC50 | 670.0 | nM | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D2 receptor | Activity | 3.35 | % | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D2 receptor | IC50 | 2590.0 | nM | 10.1016/j.bmc.2019.04.014 |