[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 692ab548-3b6b-470d-8fa7-ff92b6d9476f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)O |
| InChI | InChI=1S/C37H30O18/c38-14-7-17(40)27-26(8-14)53-34(12-3-21(44)31(50)22(45)4-12)36(55-37(52)13-5-23(46)32(51)24(47)6-13)29(27)28-18(41)10-16(39)15-9-25(48)33(54-35(15)28)11-1-19(42)30(49)20(43)2-11/h1-8,10,25,29,33-34,36,38-51H,9H2 |
| InChI Key | NBZYDZSLODGCDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H30O18 |
| Molecular Weight | 762.60 g/mol |
| Exact Mass | 762.14321410 g/mol |
| Topological Polar Surface Area (TPSA) | 328.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/043d42f0-82cf-11ee-b310-1b7d6abd8302.jpg "2D Structure of [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.40% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.01% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 92.44% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.46% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.19% | 89.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.86% | 99.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.08% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.89% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.55% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.39% | 83.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.15% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.65% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.97% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.84% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.20% | 96.12% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 83.16% | 95.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.83% | 96.37% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.32% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 95.89% |
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.
| Cistus × incanus |
| Hamamelis virginiana |
| Phyllanthus emblica |
| PubChem | 73834037 |
| LOTUS | LTS0084184 |
| wikiData | Q105177092 |