(2,3,4-Trihydroxy-3-methylbutyl) 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]prop-2-enoate
Internal ID | 827447d3-1739-4491-913f-c4ebfcf26b33 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | (2,3,4-trihydroxy-3-methylbutyl) 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]prop-2-enoate |
SMILES (Canonical) | CC(CO)(C(COC(=O)C=CC1=CC(=C(C=C1)OCC(C)(C(CO)O)O)O)O)O |
SMILES (Isomeric) | CC(CO)(C(COC(=O)C=CC1=CC(=C(C=C1)OCC(C)(C(CO)O)O)O)O)O |
InChI | InChI=1S/C19H28O10/c1-18(26,10-21)16(24)9-28-17(25)6-4-12-3-5-14(13(22)7-12)29-11-19(2,27)15(23)8-20/h3-7,15-16,20-24,26-27H,8-11H2,1-2H3 |
InChI Key | GTNFLOUXEFGGSM-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H28O10 |
Molecular Weight | 416.40 g/mol |
Exact Mass | 416.16824709 g/mol |
Topological Polar Surface Area (TPSA) | 177.00 Ų |
XlogP | -1.70 |
There are no found synonyms. |
![2D Structure of (2,3,4-Trihydroxy-3-methylbutyl) 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]prop-2-enoate 2D Structure of (2,3,4-Trihydroxy-3-methylbutyl) 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/90cb2e40-8806-11ee-8e0d-7bd34b7376bc.jpg)
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 |
---|---|---|---|---|
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.18% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.97% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.34% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.53% | 94.73% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.19% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.13% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 92.12% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.05% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 89.80% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.62% | 89.62% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.34% | 96.12% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.09% | 86.92% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.77% | 99.15% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.59% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.98% | 96.95% |
CHEMBL2535 | P11166 | Glucose transporter | 80.95% | 98.75% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.93% | 95.50% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.58% | 80.78% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.57% | 97.21% |
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.
Evolvulus alsinoides |
PubChem | 73310959 |
LOTUS | LTS0121592 |
wikiData | Q105019092 |