(6aR,12aR)-3,4,10-trihydroxy-8-methoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one
| Internal ID | 43486864-810b-44b5-b52f-8879636666a1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (6aR,12aR)-3,4,10-trihydroxy-8-methoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C3C(O2)C4=C(CO3)C(=C(C=C4)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)[C@H]3[C@H](O2)C4=C(CO3)C(=C(C=C4)O)O)O |
| InChI | InChI=1S/C17H14O7/c1-22-11-4-7(18)5-12-13(11)15(21)17-16(24-12)8-2-3-10(19)14(20)9(8)6-23-17/h2-5,16-20H,6H2,1H3/t16-,17+/m1/s1 |
| InChI Key | XILDQPIWFUPOAO-SJORKVTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (6aR,12aR)-3,4,10-trihydroxy-8-methoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6ar12ar-3410-trihydroxy-8-methoxy-6a12a-dihydro-5h-isochromeno43-bchromen-7-one.jpg "2D Structure of (6aR,12aR)-3,4,10-trihydroxy-8-methoxy-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 | 99.28% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.09% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.70% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.71% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.17% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.21% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.23% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.17% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.35% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.99% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.45% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.43% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.41% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.30% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.23% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.31% | 92.62% |
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 | 162903586 |
| LOTUS | LTS0176248 |
| wikiData | Q105328565 |