CID 163022190
| Internal ID | 37d89418-ae97-4a86-93d5-919560500b61 |
| 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)OC(=O)C)C)C |
| SMILES (Isomeric) | CC(C)C(=O)O[C@H]1C[C@@]2([C@@]([C@@H]3[C@@]1([C@]4(CCC3)CO4)COC(=O)C)([C@H](C[C@]5(O2)CC(=O)OC5)OC(=O)C)C)C |
| InChI | InChI=1S/C28H40O10/c1-16(2)23(32)37-21-10-24(5)25(6,20(36-18(4)30)11-26(38-24)12-22(31)34-13-26)19-8-7-9-27(14-35-27)28(19,21)15-33-17(3)29/h16,19-21H,7-15H2,1-6H3/t19-,20+,21+,24-,25+,26+,27+,28+/m1/s1 |
| InChI Key | IDFGPSFGOXFUHL-VKUIMKHISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O10 |
| Molecular Weight | 536.60 g/mol |
| Exact Mass | 536.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.78% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.17% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.16% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.56% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.55% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.33% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.19% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.67% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.45% | 95.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.01% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.89% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.18% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.92% | 99.23% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 85.36% | 91.65% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.96% | 89.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.76% | 98.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.65% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.46% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.69% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.22% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.66% | 92.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.39% | 95.17% |
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 | 163022190 |
| LOTUS | LTS0215085 |
| wikiData | Q105111316 |