8-Hydroxy-6-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one
| Internal ID | 50c9df96-6ddd-4e88-be42-5bbb2255ebe6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 8-hydroxy-6-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O5/c1-10-4-3-5-12(21-10)8-14-7-11-6-13(20-2)9-15(18)16(11)17(19)22-14/h6,9-10,12,14,18H,3-5,7-8H2,1-2H3 |
| InChI Key | VAYRODPQQZHYSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-6-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-6-methoxy-3-6-methyloxan-2-ylmethyl-34-dihydroisochromen-1-one.jpg "2D Structure of 8-Hydroxy-6-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-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 | 97.40% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.54% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.33% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.91% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.85% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.55% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.85% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.40% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.35% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.01% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.36% | 92.94% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.23% | 96.21% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.81% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.39% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.87% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.49% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.92% | 93.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.90% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.76% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.65% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.28% | 95.89% |
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 | 163056636 |
| LOTUS | LTS0135557 |
| wikiData | Q105283095 |