2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
| Internal ID | b99b3009-d8ab-408f-a954-6a2ef77081c0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C30H26O12/c31-15-4-2-14(3-5-15)30(29(39)27(38)26-22(37)9-17(33)11-24(26)41-30)42-25-12-18-20(35)8-16(32)10-23(18)40-28(25)13-1-6-19(34)21(36)7-13/h1-11,25,27-29,31-39H,12H2 |
| InChI Key | TXLFUHUBGBCKNS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/c05ee000-863d-11ee-ba94-e75d3f576e23.jpg "2D Structure of 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol")
| 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 | 99.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.85% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.72% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.58% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.11% | 97.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.83% | 93.40% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.63% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.75% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 86.76% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.30% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.44% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.05% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.85% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.64% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.11% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.87% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.05% | 95.78% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.00% | 97.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.76% | 96.39% |
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.
| Peltophorum pterocarpum |
| Taxus cuspidata |
| PubChem | 102115502 |
| LOTUS | LTS0115494 |
| wikiData | Q104397920 |