Hypecumine
AlkaPlorer ID: AK302203
Synonym: None
IUPAC Name: ethyl N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
Structure
SMILES: CCOC(=O)N(C)CCC1=CC2=C(C=C1C1=CC3=CC=C4OCOC4=C3C=N1)OCO2
InChI: InChI=1S/C23H22N2O6/c1-3-27-23(26)25(2)7-6-15-9-20-21(30-12-29-20)10-16(15)18-8-14-4-5-19-22(31-13-28-19)17(14)11-24-18/h4-5,8-11H,3,6-7,12-13H2,1-2H3
InChIKey: OVNDJBFISFEBMQ-UHFFFAOYSA-N
Reference
Hypecumine: A new 3-Arylisoquinoline from<i>Hypecoum procumbens</i>
PubChem CID: 11080339
CAS: 102719-88-0
LOTUS: LTS0091068
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypecoum procumbens | Hypecoum | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 422.4370000000002
TPSA？: 79.35000000000001
MolLogP？: 3.990000000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | BGC-823 | IC50 | 49900.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HCCLM9 | IC50 | 25070.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HCT-116 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HepG2 | IC50 | 27300.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | HGC-27 | IC50 | 99750.0 | 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 | 96600.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | Huh-7 | IC50 | 19220.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | L02 | IC50 | 149310.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | MCF7 | IC50 | 69700.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | MDA-MB-231 | IC50 | 36700.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | RKO | IC50 | 91580.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SGC-7901 | IC50 | 28800.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SK-HEP1 | IC50 | 103000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SW480 | IC50 | 28600.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | U-251 | IC50 | 51800.0 | nM | 10.1016/j.ejmech.2021.113985 |