Napyradiomycin A1
| Internal ID | ebb1d2f6-f04c-41bf-99e1-b8495158a52c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds > Menaquinones |
| IUPAC Name | (3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30Cl2O5/c1-14(2)7-6-8-15(3)9-10-25-21(30)17-11-16(28)12-18(29)20(17)22(31)24(25,27)13-19(26)23(4,5)32-25/h7,9,11-12,19,28-29H,6,8,10,13H2,1-5H3/b15-9+/t19-,24+,25+/m1/s1 |
| InChI Key | BCPWMPCOEAOEDD-NQSCOFRMSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C25H30Cl2O5 |
| Molecular Weight | 481.40 g/mol |
| Exact Mass | 480.1470294 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.50 |
| 103106-24-7 |
| (3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| Napyrodiomycin A |
| NPD-A1 |
| DTXSID601043827 |
| WS9558 A |
| 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4a-dichloro-10a-(3,7-dimethyl-2,6-octadienyl)-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2-dimethyl- |
| (3R,4aR,10aS)-3,4a-dichloro-10a-((2E)-3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo(g)chromene-5,10-dione |
| RefChem:164795 |
| DTXCID601526255 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.85% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.20% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.05% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.21% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.15% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.66% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.39% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.08% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.42% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.09% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.97% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.45% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.25% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.48% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.37% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.84% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.78% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.16% | 92.51% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.88% | 92.68% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 6438953 |
| LOTUS | LTS0137680 |
| wikiData | Q104923565 |