Corydamine; N-Formyl
AlkaPlorer ID: AK077915
Synonym: N-Formylcorydamine
IUPAC Name: N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylformamide
Structure
SMILES: CN(C=O)CCC1=CC2=C(C=C1C1=CC3=CC=C4OCOC4=C3C=N1)OCO2
InChI: InChI=1S/C21H18N2O5/c1-23(10-24)5-4-14-7-19-20(27-11-26-19)8-15(14)17-6-13-2-3-18-21(28-12-25-18)16(13)9-22-17/h2-3,6-10H,4-5,11-12H2,1H3
InChIKey: JXCSTESBYFFJSF-UHFFFAOYSA-N
Reference
PubChem CID: 5317376
LOTUS: LTS0205104
SuperNatural Ⅲ: SN0177687
NPASS: NPC112885
COCONUT: CNP0402393
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 378.3840000000002
TPSA？: 70.12
MolLogP？: 2.9899000000000013
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 96000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | BGC-823 | IC50 | 79400.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HCCLM9 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HCT-116 | IC50 | 86000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HepG2 | IC50 | 74000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HGC-27 | IC50 | 69010.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HL-60 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HT-29 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | Huh-7 | IC50 | 63900.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | L02 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | MCF7 | IC50 | 130000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | MDA-MB-231 | IC50 | 60900.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | RKO | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SGC-7901 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SK-HEP1 | IC50 | 145300.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SW480 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | U-251 | IC50 | 53400.0 | nM | 10.1016/j.ejmech.2021.113985 |