18-oxonapyradiomycin A1
| Internal ID | 20a0f3fb-1b81-4d8f-82da-1a2d74519c26 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds > Menaquinones |
| IUPAC Name | 8-[(3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-10a-yl]-2,6-dimethylocta-2,6-dienal |
| SMILES (Canonical) | CC(=CCC12C(=O)C3=C(C(=CC(=C3)O)O)C(=O)C1(CC(C(O2)(C)C)Cl)Cl)CCC=C(C)C=O |
| SMILES (Isomeric) | CC(=CC[C@]12C(=O)C3=C(C(=CC(=C3)O)O)C(=O)[C@]1(C[C@H](C(O2)(C)C)Cl)Cl)CCC=C(C)C=O |
| InChI | InChI=1S/C25H28Cl2O6/c1-14(6-5-7-15(2)13-28)8-9-25-21(31)17-10-16(29)11-18(30)20(17)22(32)24(25,27)12-19(26)23(3,4)33-25/h7-8,10-11,13,19,29-30H,5-6,9,12H2,1-4H3/t19-,24+,25+/m1/s1 |
| InChI Key | FPOOHFGLFKYUON-NGXZDTIWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28Cl2O6 |
| Molecular Weight | 495.40 g/mol |
| Exact Mass | 494.1262940 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 5.20 |
| 8-[(3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-10a-yl]-2,6-dimethylocta-2,6-dienal |
| 8-((3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo(g)chromen-10a-yl)-2,6-dimethylocta-2,6-dienal |
| RefChem:79409 |
| 1012860-15-9 |
| CHEBI:216766 |
| 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 | 99.67% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.67% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.88% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.88% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.25% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.64% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.59% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.45% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.21% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.31% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.17% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.08% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.88% | 92.68% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.99% | 96.12% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.78% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.70% | 96.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.43% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.01% | 92.94% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.00% | 85.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.86% | 95.50% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.05% | 93.40% |
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.
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| There are no matching plants. |
| PubChem | 139586143 |
| LOTUS | LTS0076516 |
| wikiData | Q77499796 |