Decumbenine B
AlkaPlorer ID: AK055468
Synonym: ''
IUPAC Name: [5-([1,3]dioxolo[4,5-f]isoquinolin-8-yl)-1,3-benzodioxol-4-yl]methanol
Structure
SMILES: OCC1=C2OCOC2=CC=C1C1=CC2=C(C=CC3=C2OCO3)C=N1
InChI: InChI=1S/C18H13NO5/c20-7-13-11(2-4-16-18(13)24-9-22-16)14-5-12-10(6-19-14)1-3-15-17(12)23-8-21-15/h1-6,20H,7-9H2
InChIKey: GKOMWDNIMJHCDB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis decumbens | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.3040000000001
TPSA？: 70.04
MolLogP？: 2.8515000000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCCLM9 | IC50 | 150000.0 | 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 | 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 | 40810.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | L02 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | RKO | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |
| Homo sapiens | SW480 | IC50 | 150000.0 | nM | 10.1016/j.ejmech.2021.113985 |