Tetrahydropalmatine; (±)-form
AlkaPlorer ID: AK273950
Synonym: None
IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N
Reference
PubChem CID: 5417
CAS: 3520-14-7
LOTUS: LTS0053701
SuperNatural Ⅲ: SN0003583
NPASS: NPC16107
COCONUT: CNP0262237.2
data_source: manually
Source
Properties Information
Molecule Weight: 355.434
TPSA？: 40.16
MolLogP？: 3.376500000000002
Number of H-Donors: 0
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 | 14.98 | nM | 10.1016/j.bmc.2012.11.002 |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 31622.8 | nM | None |
| Homo sapiens | Sigma opioid receptor | Ki | 2.5 | nM | 10.1021/jm049073+ |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 8199.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | NON-PROTEIN TARGET | Potency | 9432.9 | nM | None |