9,10-Dihydroxy-3-(2-hydroxyheptyl)-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one
| Internal ID | 463dfcca-aed7-4449-ac59-29b15d1f0405 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 9,10-dihydroxy-3-(2-hydroxyheptyl)-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26O6/c1-3-4-5-6-14(22)10-16-9-13-7-12-8-15(26-2)11-17(23)18(12)20(24)19(13)21(25)27-16/h7-8,11,14,16,22-24H,3-6,9-10H2,1-2H3 |
| InChI Key | UCYRHNYBKITOOS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 9,10-Dihydroxy-3-(2-hydroxyheptyl)-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/910-dihydroxy-3-2-hydroxyheptyl-7-methoxy-34-dihydrobenzogisochromen-1-one.jpg "2D Structure of 9,10-Dihydroxy-3-(2-hydroxyheptyl)-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one")
| 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 | 99.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.90% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.93% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.97% | 85.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.46% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.46% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.17% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.09% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.56% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.84% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.12% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.10% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.89% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.51% | 94.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.88% | 93.18% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.14% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.07% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.66% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.61% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.36% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.24% | 96.95% |
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 | 76033990 |
| LOTUS | LTS0072889 |
| wikiData | Q104198070 |