CID 101665116
Internal ID | d9861083-3a48-405b-ba09-0543a967f284 |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | |
SMILES (Canonical) | CC(=O)OCC12C(CCCC13CO3)C4(CCC5(CC(=O)OC5)OC4(C(C2OC(=O)C)OC(=O)C)C)C |
SMILES (Isomeric) | CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@]4(CC[C@@]5(CC(=O)OC5)O[C@]4([C@H]([C@@H]2OC(=O)C)OC(=O)C)C)C |
InChI | InChI=1S/C26H36O10/c1-15(27)31-14-26-18(7-6-8-25(26)13-33-25)22(4)9-10-24(11-19(30)32-12-24)36-23(22,5)20(34-16(2)28)21(26)35-17(3)29/h18,20-21H,6-14H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+/m1/s1 |
InChI Key | VQKBYMQKRVMNCA-IZJJEIPKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H36O10 |
Molecular Weight | 508.60 g/mol |
Exact Mass | 508.23084734 g/mol |
Topological Polar Surface Area (TPSA) | 127.00 Ų |
XlogP | 1.40 |
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 | 97.10% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.39% | 96.77% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.07% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.72% | 85.14% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.17% | 95.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.94% | 82.69% |
CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 87.88% | 91.65% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.19% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.55% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.85% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.32% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.01% | 95.89% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.80% | 97.28% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.55% | 92.50% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.17% | 93.00% |
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 | 101665116 |
LOTUS | LTS0085339 |
wikiData | Q105291327 |