Tetrahydropalmatrubine
AlkaPlorer ID: AK011378
Synonym: None
IUPAC Name: (13aS)-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=C3C[C@@H]21
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/t16-/m0/s1
InChIKey: DKBYSDUFSXFXMP-INIZCTEOSA-N
Reference
The protoberberine alkaloids of Stephania suberosa
PubChem CID: 11282465
LOTUS: LTS0263928
SuperNatural Ⅲ: SN0067861-02
NPASS: NPC278799
data_source: manually
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 | Dopamine D1 receptor | Inhibition | 87.7 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D1 receptor | Ki | 443.0 | nM | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D2 receptor | Inhibition | 22.7 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Dopamine D2 receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Inhibition | 30.5 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Inhibition | 20.0 | % | 10.1016/j.bmc.2012.12.016 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | nan | None | 10.1016/j.bmc.2012.12.016 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 200.0 | ug.mL-1 | 10.1021/np50073a012 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | Inhibition | 25.0 | % | 10.1021/np50073a012 |