2,3,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one
| Internal ID | 0602d609-728c-47ca-b2aa-fe5dbeec63cd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 2,3,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C3C(O2)C4=CC(=C(C=C4CO3)OC)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C3C(O2)C4=CC(=C(C=C4CO3)OC)OC |
| InChI | InChI=1S/C19H18O6/c1-21-11-4-5-12-14(7-11)25-18-13-8-16(23-3)15(22-2)6-10(13)9-24-19(18)17(12)20/h4-8,18-19H,9H2,1-3H3 |
| InChI Key | NOQBGYQYVWILGN-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 2,3,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2310-trimethoxy-6a12a-dihydro-5h-isochromeno43-bchromen-7-one.jpg "2D Structure of 2,3,10-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.37% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.24% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.48% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.56% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.45% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.30% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.30% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.89% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.68% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.48% | 96.86% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.24% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.73% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.37% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.32% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.93% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.00% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.90% | 82.67% |
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.
| Acacia carneorum |
| Acacia fasciculifera |
| PubChem | 15555864 |
| LOTUS | LTS0103409 |
| wikiData | Q105182706 |