3,4,10-trihydroxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one
| Internal ID | b2483261-9dd9-4c07-a69e-8af988d41f52 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 3,4,10-trihydroxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | C1C2=C(C=CC(=C2O)O)C3C(O1)C(=O)C4=C(O3)C=C(C=C4)O |
| SMILES (Isomeric) | C1C2=C(C=CC(=C2O)O)C3C(O1)C(=O)C4=C(O3)C=C(C=C4)O |
| InChI | InChI=1S/C16H12O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,15-19H,6H2 |
| InChI Key | JZKMGBIDNPULDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 3,4,10-trihydroxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3410-trihydroxy-6a12a-dihydro-5h-isochromeno43-bchromen-7-one.jpg "2D Structure of 3,4,10-trihydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.03% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.30% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.87% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.77% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.99% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.04% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.53% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.92% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.20% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.15% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.49% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 82.02% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.98% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.26% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.03% | 85.11% |
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 | 162989320 |
| LOTUS | LTS0120067 |
| wikiData | Q104170029 |