Prodelphiniline
| Internal ID | fb3281c8-94cd-45d6-90ed-72cdfa6225b5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-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)O)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)O)O |
| InChI | InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2 |
| InChI Key | MNKQAVLCMUQMSD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H26O14 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 250.00 Ų |
| XlogP | 1.60 |
| NSC143101 |
| 20136-67-8 |
| NSC 143101 |
| 2-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol |
| Prodelphinidine |
| NSC-143101 |
| 2-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol |
| 2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol |
| CHEMBL1996865 |
| SCHEMBL13772048 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
631 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.81% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.50% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.90% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.08% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.58% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.80% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.58% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 88.32% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.14% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.97% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.16% | 96.12% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.57% | 97.93% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.53% | 85.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.19% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.52% | 94.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.39% | 95.78% |
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.
| Eugenia uniflora |
| Hordeum vulgare |
| Lathyrus pratensis |
| Lotus pedunculatus |
| Melicope madagascariensis |
| Patersonia fragilis |
| Pinus brutia |
| Pinus halepensis |
| Pinus sylvestris |
| Ribes missouriense |
| PubChem | 285704 |
| LOTUS | LTS0222425 |
| wikiData | Q82919140 |