2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
| Internal ID | 36a04a46-7a9e-46e4-8085-08237ee2c1b0 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde |
| SMILES (Canonical) | C1=CC2=C(C=C1C=O)OC(O2)C3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | C1=CC2=C(C=C1C=O)OC(O2)C3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C14H10O5/c15-7-8-1-4-12-13(5-8)19-14(18-12)9-2-3-10(16)11(17)6-9/h1-7,14,16-17H |
| InChI Key | GVZIWSSFZNAGTN-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H10O5 |
| Molecular Weight | 258.23 g/mol |
| Exact Mass | 258.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.00 |
| 213903-67-4 |
| 2-(3,4-dihydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde |
| 2-(3,4-Dihydroxyphenyl)benzo[d][1,3]dioxole-5-carbaldehyde |
| AKOS040763748 |
| 2-(3',4'-dihydroxyphenyl)-1,3-benzodioxole-5-aldehyde |
| 2-(3,4-dihydroxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde |
| (+/-)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.83% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.10% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 94.91% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.79% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.38% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.23% | 94.73% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 84.19% | 93.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.88% | 93.40% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.86% | 96.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.06% | 94.45% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 80.79% | 83.65% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.20% | 96.09% |
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.
| Crinum asiaticum |
| Melissa officinalis |
| PubChem | 10377789 |
| LOTUS | LTS0218359 |
| wikiData | Q105022064 |