Prodelphinidin B5
| Internal ID | 986d94d7-ed9c-4c05-91cf-dacf4b855c02 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O |
| InChI | InChI=1S/C30H26O14/c31-11-5-13(32)22-21(6-11)44-30(10-3-17(36)27(41)18(37)4-10)28(42)24(22)23-14(33)8-20-12(25(23)39)7-19(38)29(43-20)9-1-15(34)26(40)16(35)2-9/h1-6,8,19,24,28-42H,7H2/t19-,24+,28-,29-,30-/m1/s1 |
| InChI Key | ZBDVURIHQLTXMS-PHXNJIIASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O14 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 261.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 | 99.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.33% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.99% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.38% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.26% | 83.82% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.08% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.49% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.51% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.45% | 95.56% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.37% | 96.37% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.63% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 82.33% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.36% | 98.75% |
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.
| Stryphnodendron adstringens |
| PubChem | 163184605 |
| LOTUS | LTS0085227 |
| wikiData | Q105370533 |