CID 162886591
| Internal ID | 7f78ee04-6106-4f4c-9be3-3928d424274f |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | |
| SMILES (Canonical) | CC(C)C(=O)OC1CC2(C(C3C1(C4(CCC3)CO4)COC(=O)C)(C(CC5(O2)CC(=O)OC5)O)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1CC2(C(C3C1(C4(CCC3)CO4)COC(=O)C)(C(CC5(O2)CC(=O)OC5)O)C)C |
| InChI | InChI=1S/C26H38O9/c1-15(2)21(30)34-19-10-22(4)23(5,18(28)9-24(35-22)11-20(29)32-12-24)17-7-6-8-25(13-33-25)26(17,19)14-31-16(3)27/h15,17-19,28H,6-14H2,1-5H3 |
| InChI Key | FMSAYGWVBGBTMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O9 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.40% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.69% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.39% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.16% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.55% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.45% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.23% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.49% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.20% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.71% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.36% | 95.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.40% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.80% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.03% | 98.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.77% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.31% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.79% | 89.50% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.68% | 91.65% |
| CHEMBL5028 | O14672 | ADAM10 | 81.07% | 97.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.98% | 94.80% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.42% | 97.28% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.28% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.19% | 92.50% |
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.
| Scutellaria orientalis |
| PubChem | 162886591 |
| LOTUS | LTS0197367 |
| wikiData | Q104998014 |