[4-[[4-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
| Internal ID | fbe569bf-d50c-4dbf-96c6-38d9de99c971 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Leucoanthocyanidins |
| IUPAC Name | [4-[[4-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H42O13/c1-21(41)49-35-27-17-19-29(45-5)37(47-7)33(27)52-32(24-11-15-26(44-4)16-12-24)40(35)53-36-28-18-20-30(46-6)38(48-8)34(28)51-31(39(36)50-22(2)42)23-9-13-25(43-3)14-10-23/h9-20,31-32,35-36,39-40H,1-8H3 |
| InChI Key | JCXJYFVAHNVNFP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H42O13 |
| Molecular Weight | 730.80 g/mol |
| Exact Mass | 730.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [4-[[4-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e4da87c0-857e-11ee-9758-0529465c2fdd.jpg "2D Structure of [4-[[4-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.85% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.85% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.13% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.54% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.69% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.54% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.41% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.61% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.23% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.86% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.65% | 95.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.49% | 86.92% |
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.
| Senegalia caffra |
| PubChem | 85320233 |
| LOTUS | LTS0133356 |
| wikiData | Q105125242 |