(2S,11S,17R)-7-[(2R,5S,6R)-2,6-dimethyl-5-(methylamino)oxan-2-yl]-2,4-dihydroxy-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione
| Internal ID | d9a3001e-f69c-4443-9d81-c5889083cc1d |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (2S,11S,17R)-7-[(2R,5S,6R)-2,6-dimethyl-5-(methylamino)oxan-2-yl]-2,4-dihydroxy-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H29NO8/c1-10-13(25-4)7-8-22(3,32-10)12-5-6-14(26)18-17(12)19(28)24-21-15(9-16(27)31-21)30-11(2)23(24,33-24)20(18)29/h5-6,10-11,13,15,20-21,25-26,29H,7-9H2,1-4H3/t10-,11-,13+,15?,20+,21+,22-,23?,24?/m1/s1 |
| InChI Key | RGQCXYGDKBDJJH-ZMYSCCJFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H29NO8 |
| Molecular Weight | 459.50 g/mol |
| Exact Mass | 459.18931688 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of (2S,11S,17R)-7-[(2R,5S,6R)-2,6-dimethyl-5-(methylamino)oxan-2-yl]-2,4-dihydroxy-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3801ccf0-8602-11ee-857b-15fc8993289e.jpg "2D Structure of (2S,11S,17R)-7-[(2R,5S,6R)-2,6-dimethyl-5-(methylamino)oxan-2-yl]-2,4-dihydroxy-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-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 | 98.95% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.70% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.22% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.34% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.42% | 95.89% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 88.90% | 97.63% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.75% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.52% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.16% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.96% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.71% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.10% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.53% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.38% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.35% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.19% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.14% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.33% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.07% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.98% | 97.93% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.81% | 100.00% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 80.03% | 98.57% |
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 | 132497939 |
| LOTUS | LTS0218370 |
| wikiData | Q105235998 |