3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid
| Internal ID | 3fb5435b-0786-47e9-870c-2b8c868a8c31 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)C)C |
| InChI | InChI=1S/C25H30O4/c1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19/h4-6,8,10-12,16,26-27H,7,9,13-15H2,1-3H3,(H,28,29) |
| InChI Key | UAMAHWUELDAAIA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O4 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor |
828 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.11% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.81% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.44% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.40% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.10% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.26% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.05% | 83.57% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.01% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.42% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.91% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.37% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.76% | 97.21% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.51% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.44% | 94.45% |
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.
| Amorpha fruticosa |
| Helichrysum umbraculigerum |
| PubChem | 74392204 |
| LOTUS | LTS0181972 |
| wikiData | Q105268909 |