[(3R,4R)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
| Internal ID | be99c9d2-0ce4-41d7-a99e-abc217f2078d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | [(3R,4R)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O7/c1-11(2)9-16(22)26-10-12(3)18(23)19(24)17-14(25-4)7-5-13-6-8-15(21)27-20(13)17/h5-8,11,18-19,23-24H,3,9-10H2,1-2,4H3/t18-,19-/m1/s1 |
| InChI Key | RPWASDJXFDDBFQ-RTBURBONSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [(3R,4R)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3r4r-34-dihydroxy-4-7-methoxy-2-oxochromen-8-yl-2-methylidenebutyl-3-methylbutanoate.jpg "2D Structure of [(3R,4R)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.66% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.00% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.15% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.50% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.31% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.23% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.17% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.94% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.43% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.75% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.20% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.37% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.71% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 15432667 |
| LOTUS | LTS0222550 |
| wikiData | Q105243076 |