3-(1-methyl-1,3-benzodiazol-2-yl)-2-oxochromen-7-yl 2,2-dimethylpropanoate
AlkaPlorer ID: AK261790
Synonym: None
IUPAC Name: [3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
Structure
SMILES: CN1C(C2=CC3=CC=C(OC(=O)C(C)(C)C)C=C3OC2=O)=NC2=CC=CC=C21
InChI: InChI=1S/C22H20N2O4/c1-22(2,3)21(26)27-14-10-9-13-11-15(20(25)28-18(13)12-14)19-23-16-7-5-6-8-17(16)24(19)4/h5-12H,1-4H3
InChIKey: SLVVLPLLOLFSNR-UHFFFAOYSA-N
Reference
Structure and Cytotoxicity of Diterpenoids from <i>Isodon eriocalyx</i>
PubChem CID: 1522831
SuperNatural Ⅲ: SN0349087
COCONUT: CNP0044750
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 376.4120000000001
TPSA？: 74.33000000000001
MolLogP？: 4.298200000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 25118.9 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 10000.0 | nM | None |
| Homo sapiens | 78 kDa glucose-regulated protein | Potency | 11220.2 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 17782.8 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 39810.7 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 15848.9 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 11220.2 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 16360.1 | nM | None |
| Homo sapiens | Beta-glucocerebrosidase | Potency | 35481.3 | nM | None |
| Homo sapiens | Breast cancer type 1 susceptibility protein | Potency | 15848.9 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 12589.3 | nM | None |
| Homo sapiens | Geminin | Potency | 20596.2 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 35481.3 | nM | None |
| Homo sapiens | HEK293 | Potency | 23099.9 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 28183.8 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 28183.8 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 14125.4 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 25118.9 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 39810.7 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 3689.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 223.9 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 22387.2 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Potency | 2238.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 29092.9 | nM | None |
| Homo sapiens | Ras-related protein Rab-9A | Potency | 1995.3 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 79432.8 | nM | None |
| Homo sapiens | Sphingosine 1-phosphate receptor Edg-1 | EC50 | 33500.0 | nM | None |
| Homo sapiens | Sphingosine 1-phosphate receptor Edg-6 | EC50 | 37000.0 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 10322.5 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 26854.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 4653.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 89125.1 | nM | None |
| None | Unchecked | Potency | 4610.9 | nM | None |
| None | Unchecked | Potency | 11577.4 | nM | None |