CID 303992
| Internal ID | 92224ca9-1370-4dc1-a850-d6aa0d943885 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC |
| SMILES (Isomeric) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC |
| InChI | InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3 |
| InChI Key | JFVKWCYZKMUTLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.30 |
| CHEBI:182714 |
| NSC194811 |
| NSC-194811 |
| 13-Hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one |
| 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 | 97.09% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.63% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.52% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.21% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.35% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.36% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.94% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.00% | 90.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.85% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.53% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.33% | 91.49% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.01% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.88% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.86% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.95% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.83% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.91% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.73% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.27% | 93.40% |
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.
| Antheroporum pierrei |
| Derris trifoliata |
| Lonchocarpus subglaucescens |
| Millettia pachycarpa |
| Mundulea chapelieri |
| Pongamiopsis pervilleana |
| Sarcolobus globosus |
| Tephrosia vogelii |
| PubChem | 303992 |
| LOTUS | LTS0125968 |
| wikiData | Q105261565 |