3,4,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one
| Internal ID | 8396a455-2db7-4151-bfb1-e050446fc532 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 3,4,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C3C(O2)C4=C(CO3)C(=C(C=C4)OC)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C3C(O2)C4=C(CO3)C(=C(C=C4)OC)OC |
| InChI | InChI=1S/C19H18O6/c1-21-10-4-5-12-15(8-10)25-18-11-6-7-14(22-2)17(23-3)13(11)9-24-19(18)16(12)20/h4-8,18-19H,9H2,1-3H3 |
| InChI Key | VNEMVXZGMYWDLA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 3,4,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3410-trimethoxy-6a12a-dihydro-5h-isochromeno43-bchromen-7-one.jpg "2D Structure of 3,4,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-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 |
|---|---|---|---|---|
| CHEMBL1907 | P15144 | Aminopeptidase N | 96.72% | 93.31% |
| CHEMBL240 | Q12809 | HERG | 96.66% | 89.76% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 94.11% | 92.98% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.85% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.60% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.59% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.95% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.94% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.93% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.48% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.88% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.51% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.95% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.95% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.39% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.08% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.07% | 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.
| Goniorrhachis marginata |
| PubChem | 162820517 |
| LOTUS | LTS0110449 |
| wikiData | Q104199613 |