CID 163190945
| Internal ID | e7ef656f-8a8b-41f1-ba85-ad56c0ea1da7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (17S)-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25?,26?/m0/s1 |
| InChI Key | ALXLLOQTGLPCFG-XFXRKFMASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H27N3O4 |
| Molecular Weight | 445.50 g/mol |
| Exact Mass | 445.20015635 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 2.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.44% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.58% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.22% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.14% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.55% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.95% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.32% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.28% | 93.99% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.45% | 99.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.73% | 89.63% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.37% | 95.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.35% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.94% | 94.75% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.61% | 95.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.59% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.98% | 88.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.34% | 95.83% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.47% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.37% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.12% | 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 | 163190945 |
| LOTUS | LTS0218495 |
| wikiData | Q104914420 |