(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
| Internal ID | 7c2e0663-4597-4cee-a699-457bd4c83829 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)C4=CC5=C(C(=C4O)O)OC(C(C5O)O)C6=CC=C(C=C6)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@H]2[C@@H]([C@H](C3=C(O2)C(=C(C=C3)O)O)C4=CC5=C(C(=C4O)O)O[C@@H]([C@@H]([C@@H]5O)O)C6=CC=C(C=C6)O)O)O |
| InChI | InChI=1S/C30H26O11/c31-14-5-1-12(2-6-14)27-24(37)20(16-9-10-19(33)23(36)29(16)40-27)17-11-18-22(35)25(38)28(13-3-7-15(32)8-4-13)41-30(18)26(39)21(17)34/h1-11,20,22,24-25,27-28,31-39H/t20-,22-,24-,25-,27+,28-/m1/s1 |
| InChI Key | ZLTGVEZNVYHEOT-ITILSLBESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H26O11 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/657f5f10-84dc-11ee-95d7-6b7380ddd3e3.jpg "2D Structure of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-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 | 98.61% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.85% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.21% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.76% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 86.38% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.55% | 97.09% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 84.82% | 96.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.20% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.56% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.67% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.94% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.03% | 83.10% |
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.
| Hypericum beanii |
| Senegalia galpinii |
| PubChem | 101193697 |
| LOTUS | LTS0046417 |
| wikiData | Q105030122 |