CID 162904762
Internal ID | dfc0b2fb-e87b-4f96-85f7-1b8a08be4def |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | |
SMILES (Canonical) | CCC(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@H](C)C(=O)O[C@@H]1[C@H]([C@]2([C@](CC[C@]3(O2)CC(=O)OC3)([C@H]4[C@@]1([C@]5(CCC4)CO5)COC(=O)C)C)C)OC(=O)C |
InChI | InChI=1S/C29H42O10/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/h17,20,22-23H,7-16H2,1-6H3/t17-,20-,22+,23+,25+,26-,27-,28-,29-/m0/s1 |
InChI Key | AQVZDJYNIRKSER-QDZXTVMYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H42O10 |
Molecular Weight | 550.60 g/mol |
Exact Mass | 550.27779753 g/mol |
Topological Polar Surface Area (TPSA) | 127.00 Ų |
XlogP | 2.80 |
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 | 98.01% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.13% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.18% | 96.77% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.38% | 97.09% |
CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 90.38% | 91.65% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.25% | 82.69% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.72% | 95.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.40% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 87.58% | 97.79% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.17% | 85.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.71% | 99.23% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.67% | 95.71% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.04% | 82.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.00% | 91.19% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.62% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.95% | 92.50% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.13% | 80.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.80% | 89.50% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.54% | 96.47% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.47% | 89.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.46% | 97.28% |
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 | 162904762 |
LOTUS | LTS0047878 |
wikiData | Q104917121 |