(6aS,7R,12aS)-2,3,7,10-tetramethoxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene
| Internal ID | ffa50494-8959-4094-853e-8b152f87b8e7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (6aS,7R,12aS)-2,3,7,10-tetramethoxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene |
| SMILES (Canonical) | COC1C2C(C3=CC(=C(C=C3CO2)OC)OC)OC4=C1C=CC(=C4)OC |
| SMILES (Isomeric) | CO[C@H]1[C@H]2[C@H](C3=CC(=C(C=C3CO2)OC)OC)OC4=C1C=CC(=C4)OC |
| InChI | InChI=1S/C20H22O6/c1-21-12-5-6-13-15(8-12)26-19-14-9-17(23-3)16(22-2)7-11(14)10-25-20(19)18(13)24-4/h5-9,18-20H,10H2,1-4H3/t18-,19+,20+/m1/s1 |
| InChI Key | BDULBNWZNXYQBG-AABGKKOBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (6aS,7R,12aS)-2,3,7,10-tetramethoxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene](https://plantaedb.com/storage/docs/compounds/2023/11/6as7r12as-23710-tetramethoxy-56a712a-tetrahydroisochromeno43-bchromene.jpg "2D Structure of (6aS,7R,12aS)-2,3,7,10-tetramethoxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.73% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.08% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.06% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.04% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.80% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.14% | 97.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.03% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.86% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.80% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.42% | 93.31% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.10% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.91% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.60% | 99.18% |
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.
| Umtiza listeriana |
| PubChem | 163005266 |
| LOTUS | LTS0212656 |
| wikiData | Q104924724 |