CID 85090458
Internal ID | 380e7ee9-0a89-4094-830c-fcae25716fa5 |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | |
SMILES (Canonical) | CC=C(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)C(=O)OC1CC2(C(C3C1(C4(CCC3)CO4)COC(=O)C)(C(CC5(O2)CC(=O)OC5)OC(=O)C)C)C |
InChI | InChI=1S/C29H40O10/c1-7-17(2)24(33)38-22-11-25(5)26(6,21(37-19(4)31)12-27(39-25)13-23(32)35-14-27)20-9-8-10-28(15-36-28)29(20,22)16-34-18(3)30/h7,20-22H,8-16H2,1-6H3 |
InChI Key | UEQXAJICBIIUPM-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 | 94.65% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.90% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.46% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.14% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.41% | 95.56% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.30% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.38% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.33% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.87% | 96.77% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.82% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 86.13% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.30% | 91.19% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.64% | 93.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.56% | 92.62% |
CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 84.43% | 91.65% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.44% | 93.04% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.91% | 91.07% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.42% | 92.50% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.38% | 89.50% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.31% | 95.71% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.71% | 92.94% |
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 | 85090458 |
LOTUS | LTS0217847 |
wikiData | Q105271072 |