Corydaline
AlkaPlorer ID: AK007200
Synonym: None
IUPAC Name: (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@H]1[C@@H](C)C3=C(CN1CC2)C(OC)=C(OC)C=C3
InChI: InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
InChIKey: VRSRXLJTYQVOHC-YEJXKQKISA-N
Reference
Anti-Thrombic Action of Methanol Extract and Alkaloidal Components from<i>Corydalis</i>Tuber
PubChem CID: 101301
CAS: 518-69-4
LOTUS: LTS0168675
SuperNatural Ⅲ: SN0398330-05
NPASS: NPC7467
Source
Properties Information
Molecule Weight: 369.4610000000001
TPSA？: 40.16
MolLogP？: 3.937500000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 13.9 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | -0.53 | % | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.6019/CHEMBL3430912 |
| Influenza A virus (strain A/USSR/90/1977 H1N1) | Neuraminidase | IC50 | nan | None | 10.1016/j.bmc.2014.09.004 |
| Leishmania donovani | Leishmania donovani | IC50 | 2511.89 | nM | 10.6019/CHEMBL3430912 |
| Leishmania donovani | Leishmania donovani | IC50 | 15848.93 | nM | 10.6019/CHEMBL3430912 |
| Leishmania donovani | Leishmania donovani | IC50 | 19952.62 | nM | 10.6019/CHEMBL3430912 |
| Leishmania donovani | Leishmania donovani | IC50 | 50118.72 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 25118.86 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 39810.72 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 19952.62 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 25118.86 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 50118.72 | nM | 10.6019/CHEMBL3430912 |
| Trypanosoma cruzi (strain CL Brener) | Sterol 14-alpha demethylase | IC50 | 79432.82 | nM | 10.6019/CHEMBL3430912 |
| None | ADMET | log Pe | -4.93 | None | 10.1021/np300882f |
| None | Unchecked | IC50 | nan | None | 10.1016/j.bmc.2014.09.004 |
| None | Unchecked | Inhibition | 12.7 | % | 10.1016/j.bmc.2014.09.004 |