4-Hydroxydihydronorjavanicin
| Internal ID | 7ec6263f-b06b-457a-8721-58b2db0268ef |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (3S,4S)-4,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2H-naphthalen-1-one |
| SMILES (Canonical) | CC(=O)CC1CC(=O)C2=C(C1O)C(=C(C=C2O)OC)O |
| SMILES (Isomeric) | CC(=O)C[C@H]1CC(=O)C2=C([C@H]1O)C(=C(C=C2O)OC)O |
| InChI | InChI=1S/C14H16O6/c1-6(15)3-7-4-8(16)11-9(17)5-10(20-2)14(19)12(11)13(7)18/h5,7,13,17-19H,3-4H2,1-2H3/t7-,13-/m0/s1 |
| InChI Key | DFKLLVDXSVLRDE-CPFSXVBKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O6 |
| Molecular Weight | 280.27 g/mol |
| Exact Mass | 280.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.30 |
| 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 |
|---|---|---|---|---|---|
| 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 | 98.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.98% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.14% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.73% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.14% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.15% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.58% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.12% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.96% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.10% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.56% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.31% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.98% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.33% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.01% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 101537875 |
| LOTUS | LTS0089678 |
| wikiData | Q77370118 |