4-[3-(1,3-Benzodioxol-5-yl)propyl]benzene-1,3-diol
| Internal ID | 7c97f559-35df-4f4a-b84e-2fef6cfe8ef2 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 4-[3-(1,3-benzodioxol-5-yl)propyl]benzene-1,3-diol |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)CCCC3=C(C=C(C=C3)O)O |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)CCCC3=C(C=C(C=C3)O)O |
| InChI | InChI=1S/C16H16O4/c17-13-6-5-12(14(18)9-13)3-1-2-11-4-7-15-16(8-11)20-10-19-15/h4-9,17-18H,1-3,10H2 |
| InChI Key | GPQWKEMAMHFAFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.29 g/mol |
| Exact Mass | 272.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.80 |
| ACon1_001109 |
| NCGC00169668-01 |
| BRD-K65500363-001-01-5 |
![2D Structure of 4-[3-(1,3-Benzodioxol-5-yl)propyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-13-benzodioxol-5-ylpropylbenzene-13-diol.jpg "2D Structure of 4-[3-(1,3-Benzodioxol-5-yl)propyl]benzene-1,3-diol")
| 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 | 98.49% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.88% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.77% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.87% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.04% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.18% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.15% | 83.57% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.92% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.63% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.80% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.47% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.01% | 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.
| Iryanthera polyneura |
| PubChem | 21722170 |
| LOTUS | LTS0138338 |
| wikiData | Q104167367 |