3-[(3S)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
| Internal ID | 00d4f305-5fa2-41af-9eda-acba62349efd |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-[(3S)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC1(C(CC2=C(C(=CC(=C2O1)OC)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C(C(=CC(=C2O1)OC)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C |
| InChI | InChI=1S/C21H20O8/c1-21(2)16(24)7-11-18(25)10(6-15(27-3)20(11)29-21)12-8-28-14-5-9(22)4-13(23)17(14)19(12)26/h4-6,8,16,22-25H,7H2,1-3H3/t16-/m0/s1 |
| InChI Key | BTFYNLICVGZVFS-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O8 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 3-[(3S)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3s-35-dihydroxy-8-methoxy-22-dimethyl-34-dihydrochromen-6-yl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[(3S)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-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 | 99.72% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.68% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.32% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.88% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.44% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.12% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.50% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.25% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.58% | 99.17% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.20% | 98.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.11% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.38% | 94.75% |
| CHEMBL3194 | P02766 | Transthyretin | 80.26% | 90.71% |
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.
| Piscidia piscipula |
| PubChem | 162959960 |
| LOTUS | LTS0203079 |
| wikiData | Q104945583 |