Justiflorinol
| Internal ID | 0f0ff406-be15-4ef9-b414-35184b90e2aa |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)C(=O)CC(CO)C(=O)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)C(=O)CC(CO)C(=O)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C19H16O7/c20-8-13(19(22)12-2-4-16-18(7-12)26-10-24-16)5-14(21)11-1-3-15-17(6-11)25-9-23-15/h1-4,6-7,13,20H,5,8-10H2 |
| InChI Key | YNDXXIPMXGSUGT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H16O7 |
| Molecular Weight | 356.30 g/mol |
| Exact Mass | 356.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 1.80 |
| CHEBI:70491 |
| CHEMBL463731 |
| Q27138826 |
| 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione |
| 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 | 95.58% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.15% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.46% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.89% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.13% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.10% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.55% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.11% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.30% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.30% | 95.56% |
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.
| Justicia patentiflora |
| Piper obliquum |
| PubChem | 11416971 |
| LOTUS | LTS0189236 |
| wikiData | Q27138826 |