Dehydrodihydrorotenone
| Internal ID | d3816fdb-9160-40b3-ab1f-8efb82abbeea |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one |
| SMILES (Canonical) | CC(C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC |
| SMILES (Isomeric) | CC(C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC |
| InChI | InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16H,8,10H2,1-4H3 |
| InChI Key | BHCBWJBSVOKHRJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.10 |
| KBio2_005802 |
| Spectrum_000186 |
| SpecPlus_000183 |
| Spectrum2_000184 |
| Spectrum3_000219 |
| Spectrum4_001437 |
| Spectrum5_000294 |
| BSPBio_001837 |
| KBioGR_001914 |
| KBioSS_000666 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.97% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 93.82% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.60% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.43% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.29% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.82% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.78% | 96.77% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.61% | 95.12% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.35% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.94% | 97.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.24% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.22% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.72% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.56% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.15% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.35% | 96.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.32% | 95.53% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.28% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.84% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.34% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.79% | 99.17% |
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.
| Tephrosia candida |
| PubChem | 3950722 |
| LOTUS | LTS0100264 |
| wikiData | Q27165589 |