Psychotrine
AlkaPlorer ID: AK040581
Synonym: None
IUPAC Name: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol
Structure
SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1CC1=NCCC2=CC(O)=C(OC)C=C12
InChI: InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1
InChIKey: NCALAYAMQHIWMN-REIDKSKDSA-N
Reference
Antimalarial Activity of Alkaloids fromPogonopus tubulosus
PubChem CID: 65380
CAS: 7633-29-6
LOTUS: LTS0069081
NPASS: NPC66573
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pogonopus speciosus | Pogonopus | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 464.60600000000034
TPSA？: 63.52000000000001
MolLogP？: 4.798800000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agrobacterium tumefaciens | Agrobacterium tumefaciens | Inhibition | nan | % | 10.1021/np50070a041 |
| Artemia | Artemia | LC50 | 1000.0 | ppm | 10.1021/np50070a041 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 8.19 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Homo sapiens | A549 | ED50 | 10.0 | ug ml-1 | 10.1021/np50070a041 |
| Homo sapiens | Col2 | ED50 | 4.5 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | HT-29 | ED50 | 10.0 | ug ml-1 | 10.1021/np50070a041 |
| Homo sapiens | KB | ED50 | 2.8 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | KB | ED50 | 9.0 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | KB | ED50 | 9.4 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | LNCaP | ED50 | 2.3 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | Lu1 | ED50 | 5.7 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | MCF7 | ED50 | 10.0 | ug ml-1 | 10.1021/np50070a041 |
| Homo sapiens | SK-N-SH | ED50 | 4.0 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | SW626 | ED50 | 13.3 | ug ml-1 | 10.1021/np990255u |
| 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 | 20.0 | % | 10.1021/np50073a012 |
| Mus musculus | M109 | ED50 | 9.0 | ug ml-1 | 10.1021/np990255u |
| None | NON-PROTEIN TARGET | ED50 | 1.0 | ug ml-1 | 10.1021/np50070a041 |
| None | NON-PROTEIN TARGET | ED50 | 3.4 | ug ml-1 | 10.1021/np990255u |
| None | NON-PROTEIN TARGET | ED50 | nan | None | 10.1021/np50070a041 |