Dihydrosanguinarine; 8-Ethoxy
AlkaPlorer ID: AK295962
Synonym: Ethoxydihydrosanguinarine, Sanguinarine pseudoethanolate
IUPAC Name: 23-ethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Structure
SMILES: CCOC1C2=C3OCOC3=CC=C2C2=CC=C3C=C4OCOC4=CC3=C2N1C
InChI: InChI=1S/C22H19NO5/c1-3-24-22-19-13(6-7-16-21(19)28-11-25-16)14-5-4-12-8-17-18(27-10-26-17)9-15(12)20(14)23(22)2/h4-9,22H,3,10-11H2,1-2H3
InChIKey: FCEXWTOTHXCQCQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hunnemannia | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gastrodia elata | Gastrodia | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Macleaya cordata | Macleaya | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.3960000000002
TPSA？: 49.39000000000001
MolLogP？: 4.449100000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/ml400341k |
| Homo sapiens | A549 | GI | nan | None | 10.1021/ml400341k |
| Homo sapiens | A549 | IC50 | 2740.0 | nM | 10.1021/ml400341k |
| Homo sapiens | NCI-H1975 | Activity | nan | None | 10.1021/ml400341k |
| Homo sapiens | NCI-H1975 | GI | nan | None | 10.1021/ml400341k |
| Homo sapiens | NCI-H1975 | IC50 | 1290.0 | nM | 10.1021/ml400341k |
| Homo sapiens | NCI-H460 | IC50 | 1560.0 | nM | 10.1021/ml400341k |
| Homo sapiens | Protein CIP2A | Activity | nan | None | 10.1021/ml400341k |
| Homo sapiens | Protein CIP2A | Inhibition | nan | % | 10.1021/ml400341k |
| None | NON-PROTEIN TARGET | IC50 | 1000.0 | nM | 10.1021/ml400341k |
| None | NON-PROTEIN TARGET | IC50 | 1100.0 | nM | 10.1021/ml400341k |
| None | NON-PROTEIN TARGET | IC50 | 1300.0 | nM | 10.1021/ml400341k |
| None | NON-PROTEIN TARGET | IC50 | 2000.0 | nM | 10.1021/ml400341k |