Rhinoclactone D
| Internal ID | b7eff944-9a32-42d2-9c5e-8bdda5b2d8ca |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,10S)-15-chloro-16-hydroxy-10,18-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-2,7,12-trione |
| SMILES (Canonical) | CC1CCC(=O)CCC(CC(=O)CC2=C(C(=CC(=C2C(=O)O1)OC)O)Cl)OC |
| SMILES (Isomeric) | C[C@H]1CCC(=O)CC[C@@H](CC(=O)CC2=C(C(=CC(=C2C(=O)O1)OC)O)Cl)OC |
| InChI | InChI=1S/C20H25ClO7/c1-11-4-5-12(22)6-7-14(26-2)8-13(23)9-15-18(20(25)28-11)17(27-3)10-16(24)19(15)21/h10-11,14,24H,4-9H2,1-3H3/t11-,14-/m0/s1 |
| InChI Key | DEMKQUIZOFIHRZ-FZMZJTMJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H25ClO7 |
| Molecular Weight | 412.90 g/mol |
| Exact Mass | 412.1288808 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 2.20 |
| 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 | 99.40% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.27% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.78% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.85% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.85% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.74% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.31% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.04% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.94% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.61% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.18% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.97% | 99.17% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.20% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.65% | 91.07% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.53% | 82.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.10% | 95.62% |
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.
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| There are no matching plants. |
| PubChem | 125416179 |
| LOTUS | LTS0025573 |
| wikiData | Q104977331 |