Napyradiomycin A2
| Internal ID | 5f06d5a9-aa4d-4c21-9191-79fc964faa67 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds |
| IUPAC Name | (3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,17,19,28-30H,1,6-7,9,12H2,2-5H3/b14-8+/t17?,19-,24+,25+/m1/s1 |
| InChI Key | MUVCLXZNRJJIGV-IYESRBMVSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C25H30Cl2O6 |
| Molecular Weight | 497.40 g/mol |
| Exact Mass | 496.1419441 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.50 |
| 111216-62-7 |
| Npd-A2 |
| 16-Hydroxy-17-methylenenapyradiomycin A1 |
| 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl- |
| (3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| 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 | 99.71% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.98% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.89% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.74% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.76% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.18% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.15% | 96.12% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.05% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.60% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.22% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.35% | 92.68% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.58% | 91.07% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.57% | 92.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.60% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.19% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.20% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.32% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.66% | 96.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.97% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.51% | 93.18% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.42% | 97.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 9983331 |
| LOTUS | LTS0097316 |
| wikiData | Q105172748 |