CID 85192074
Internal ID | 97cc58ae-968a-43e0-b8c9-19180756492a |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
IUPAC Name | |
SMILES (Canonical) | CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CC(CC25CO5)OC(=O)C)COC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CC(CC25CO5)OC(=O)C)COC(=O)C)OC(=O)C |
InChI | InChI=1S/C26H32O10/c1-14-7-22(35-17(4)29)26(13-32-15(2)27)21(8-19(34-16(3)28)9-24(26)12-33-24)25(14)10-20(36-23(25)30)18-5-6-31-11-18/h5-6,11,14,19-22H,7-10,12-13H2,1-4H3 |
InChI Key | BVKLUYUFIJHFAO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H32O10 |
Molecular Weight | 504.50 g/mol |
Exact Mass | 504.19954721 g/mol |
Topological Polar Surface Area (TPSA) | 131.00 Ų |
XlogP | 1.70 |
There are no found synonyms. |
![2D Structure of CID 85192074 2D Structure of CID 85192074](https://plantaedb.com/storage/docs/compounds/2023/11/cid-85192074.jpg)
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 | 97.57% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.36% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.25% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.26% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.41% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.35% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.43% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.06% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.48% | 94.80% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.89% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.15% | 95.56% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.35% | 97.79% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.28% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 99.23% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.16% | 90.17% |
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 | 85192074 |
LOTUS | LTS0127319 |
wikiData | Q104946621 |