1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propan-2-ol
| Internal ID | 64ea30f7-5e88-4168-a515-a7f4f550f3db |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-[3-(2,4-dihydroxyphenyl)-3-hydroxypropyl]benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=C(C=C1CCC(C2=C(C=C(C=C2)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CCC(C2=C(C=C(C=C2)O)O)O)O)O |
| InChI | InChI=1S/C15H16O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h2-4,6-8,12,16-20H,1,5H2 |
| InChI Key | GUAZWRFLWNDGON-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.50 |
| 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propan-2-ol |
| 4-[3-(2,4-dihydroxyphenyl)-3-hydroxypropyl]benzene-1,2-diol |
| Quracol B |
| SCHEMBL2977752 |
| DTXSID20910773 |
| BDBM473767 |
| US10857082, Table 2.1 |
| 1,2-Benzenediol, 4-(3-(2,4-dihydroxyphenyl)-3-hydroxypropyl)- |
| 1-(2,4-dihydroxyphenyl)-3-(3'',4''-dihydroxyphenyl)-1-propanol |
| 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 | 98.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.77% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.77% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.08% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.74% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 85.10% | 90.71% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 84.85% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.65% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.11% | 94.73% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.81% | 93.81% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.80% | 95.89% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.14% | 96.37% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.07% | 97.23% |
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.
| Vachellia tortilis |
| PubChem | 130164 |
| LOTUS | LTS0213917 |
| wikiData | Q14916213 |