Asimilobine
AlkaPlorer ID: AK025309
Synonym: None
IUPAC Name: (6aR)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Structure
SMILES: COC1=C(O)C=C2CCN[C@@H]3CC4=CC=CC=C4C1=C23
InChI: InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKey: NBDNEUOVIJYCGZ-CYBMUJFWSA-N
Reference
PubChem CID: 160875
CAS: 6871-21-2
LOTUS: LTS0061350
SuperNatural Ⅲ: SN0240723-01
NPASS: NPC476573
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona glabra | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 267.328
TPSA？: 41.49
MolLogP？: 2.8107000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 100000.0 | nM | 10.1021/np060268p |
| Equus caballus | Cholinesterase | IC50 | 100000.0 | nM | 10.1021/np060268p |
| Homo sapiens | A-431 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | Acetylcholinesterase | IC50 | 100000.0 | nM | 10.1021/np060268p |
| Homo sapiens | HT-1080 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | KB | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | LNCaP | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | SK-MEL-2 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Homo sapiens | ZR-75-1 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Mus musculus | P388 | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 470.0 | ng/ml | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 950.0 | ng/ml | 10.1021/np50099a005 |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np50099a005 |
| None | Unchecked | Ratio ED50 | 21.0 | None | 10.1021/np50099a005 |
| None | Unchecked | Ratio ED50 | 42.0 | None | 10.1021/np50099a005 |