CID 14543739
Internal ID | 8977d53b-1ab2-48b0-a711-f1e818761491 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | |
SMILES (Canonical) | CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(=O)C25CO5)COC(=O)C)O |
SMILES (Isomeric) | C[C@@H]1C[C@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC(=O)[C@]25CO5)COC(=O)C)O |
InChI | InChI=1S/C22H26O8/c1-12-7-18(25)21(10-28-13(2)23)16(3-4-17(24)22(21)11-29-22)20(12)8-15(30-19(20)26)14-5-6-27-9-14/h5-6,9,12,15-16,18,25H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,18-,20-,21+,22-/m1/s1 |
InChI Key | QVTQLIONWHARQP-GMRLWNMISA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H26O8 |
Molecular Weight | 418.40 g/mol |
Exact Mass | 418.16276778 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 0.60 |
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 | 96.13% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.71% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.39% | 85.14% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.08% | 90.17% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.04% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.56% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.61% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.59% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 85.29% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.55% | 97.25% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.47% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.98% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.89% | 92.62% |
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.
Teucrium pestalozzae |
Teucrium racemosum |
PubChem | 14543739 |
LOTUS | LTS0225162 |
wikiData | Q104403589 |