(12bS)-3,10,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-4-ol
AlkaPlorer ID: AK319603
Synonym: None
IUPAC Name: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
Structure
SMILES: COC1=C(OC)C=C2C(=C1)CCN1CC3=C(O)C(OC)=CC=C3CC21
InChI: InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChIKey: DKBYSDUFSXFXMP-UHFFFAOYSA-N
Reference
The alkaloids of Schefferomitra subaequalis (Anonaceae)
PubChem CID: 453215
CAS: 32154-71-5
LOTUS: LTS0252503
NPASS: NPC276588
COCONUT: CNP0257017.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phellodendron chinense | Phellodendron | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phellodendron amurense | Phellodendron | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 | Coagulation factor III | IC50 | 187.26 | nM | 10.1016/j.bmc.2012.11.002 |
| Homo sapiens | Dopamine D1 receptor | Activity | -4.32 | % | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D1 receptor | IC50 | 410.0 | nM | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D2 receptor | Activity | 5.52 | % | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | Dopamine D2 receptor | IC50 | 3110.0 | nM | 10.1016/j.bmc.2019.04.014 |
| Homo sapiens | ECa-109 cell line | Activity | 74.2 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | FC | 1.2 | None | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | IC50 | 5643.0 | nM | 10.1021/acs.jmedchem.2c02061 |