CID 162880135
| Internal ID | a644fa9e-855b-4ad1-9324-173698e8f282 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(C2(C(CCC3(O2)CC(=O)OC3)(C4C1(C5(CCC4)CO5)COC(=O)C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(C2(C(CCC3(O2)CC(=O)OC3)(C4C1(C5(CCC4)CO5)COC(=O)C)C)C)OC(=O)C |
| InChI | InChI=1S/C29H40O10/c1-7-17(2)24(33)38-23-22(37-19(4)31)26(6)25(5,11-12-27(39-26)13-21(32)35-14-27)20-9-8-10-28(15-36-28)29(20,23)16-34-18(3)30/h7,20,22-23H,8-16H2,1-6H3 |
| InChI Key | FDMQUGDKBVYERN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O10 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 2.60 |
| 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 | 97.95% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.52% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.09% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.94% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 90.30% | 91.65% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.81% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.24% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.02% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.21% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.04% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.76% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.65% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.23% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.63% | 80.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.52% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.15% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.96% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.91% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.30% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.86% | 92.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.18% | 91.24% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.17% | 89.34% |
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 alpina |
| PubChem | 162880135 |
| LOTUS | LTS0265760 |
| wikiData | Q104993658 |