2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate
| Internal ID | f613265b-85eb-421d-8dbb-6cac0cbe054d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | [5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3 |
| InChI Key | BKYWAYNSDFXIPL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H24O11 |
| Molecular Weight | 500.40 g/mol |
| Exact Mass | 500.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 2.40 |
| EINECS 282-687-9 |
| (-)-Epicatechin-pentaacetate |
| 2-(3,4-Bis(acetoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triyltriacetate |
| Catechol, pentaacetate, (+)- |
| (+)-Catechin pentaacetate; Catechin pentaacetate |
| SCHEMBL719420 |
| CHEMBL1336025 |
| DTXSID301004591 |
| (+/-)-PENTAACETYLCATECHIN |
| 2H-1-Benzopyran-3,5,7-triol, 2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R,3R)- |
| 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 |
|---|---|---|---|---|---|
| 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 | 97.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.76% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.75% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.06% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.41% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.31% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.62% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.79% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.22% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.99% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.42% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.87% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.07% | 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.
| Begonia glabra |
| Cryptomeria japonica |
| Prunus padus |
| Rhizophora stylosa |
| Trichilia catigua |
| PubChem | 3363314 |
| LOTUS | LTS0205401 |
| wikiData | Q82999670 |