CID 10623919
| Internal ID | c34a8ac2-fa8e-4b74-9417-f17e5b666a35 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | |
| SMILES (Canonical) | CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CC(CC25CO5)O)COC(=O)C)OC(=O)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]13C[C@@H](OC3=O)C4=COC=C4)C[C@@H](C[C@]25CO5)O)COC(=O)C)OC(=O)C |
| InChI | InChI=1S/C24H30O9/c1-13-6-20(32-15(3)26)24(12-30-14(2)25)19(7-17(27)8-22(24)11-31-22)23(13)9-18(33-21(23)28)16-4-5-29-10-16/h4-5,10,13,17-20,27H,6-9,11-12H2,1-3H3/t13-,17+,18-,19-,20+,22+,23-,24+/m1/s1 |
| InChI Key | HUPBOJIWABTVPP-BNKQMIIASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O9 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.80% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.38% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.26% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.30% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.19% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.15% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.70% | 94.80% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.20% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.94% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.36% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.35% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.63% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 100.00% |
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.
| Teucrium massiliense |
| PubChem | 10623919 |
| LOTUS | LTS0120632 |
| wikiData | Q105033955 |