Erysodine
AlkaPlorer ID: AK009308
Synonym: None
IUPAC Name: (2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-ol
Structure
SMILES: COC1=C(O)C=C2CCN3CC=C4C=C[C@H](OC)C[C@@]43C2=C1
InChI: InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
InChIKey: BDIVMECULLJBMU-KSSFIOAISA-N
Reference
Alkaloidal Constituents of Erythrina crista-galli Flowers
PubChem CID: 169017
CAS: 107-41-5
LOTUS: LTS0200261
SuperNatural Ⅲ: SN0022491-01
NPASS: NPC82285
Source
Properties Information
Molecule Weight: 299.37000000000006
TPSA？: 41.93000000000001
MolLogP？: 2.3691000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Jurkat | IC50 | 4.9 | ug.mL-1 | 10.1016/j.bmcl.2008.10.111 |
| Homo sapiens | Jurkat | IC50 | 10.8 | ug.mL-1 | 10.1016/j.bmcl.2008.10.111 |
| Homo sapiens | MRC5 | IC50 | 64000.0 | nM | 10.1016/j.ejmech.2022.114361 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 50.0 | nM | 10.1021/acs.jmedchem.7b01895 |
| Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit | Ki | 7500.0 | nM | 10.1021/jm4013592 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6500.0 | nM | 10.1016/j.ejmech.2022.114361 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Ki | 5.0 | nM | 10.1016/0960-894X(95)00154-L |