Dihydrocorynantheine
AlkaPlorer ID: AK001508
Synonym: None
IUPAC Name: methyl (Z)-2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: CC[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13-/t14-,17-,20-/m0/s1
InChIKey: NMLUOJBSAYAYEM-CPHCKLLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria macrophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.47700000000015
TPSA？: 54.56
MolLogP？: 3.816500000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | MDCK | CC50 | 86.3 | ug.mL-1 | 10.1016/S0960-894X(97)10154-8 |
| Canis lupus familiaris | MDCK | EC50 | 86.3 | ug.mL-1 | 10.1016/S0960-894X(97)10154-8 |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np1004938 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/np1004938 |
| Rattus norvegicus | Aorta | IC50 | 6.73 | ug.mL-1 | 10.1021/np1004938 |
| Rattus norvegicus | Aorta | IC50 | 21.81 | ug.mL-1 | 10.1021/np1004938 |