CID 163036187
Internal ID | 4d6b1ed0-2e87-422c-ba7c-4d6733954316 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | |
SMILES (Canonical) | CC1C(C(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)COC(=O)C)O |
SMILES (Isomeric) | C[C@@H]1[C@@H](C(=O)[C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)COC(=O)C)O |
InChI | InChI=1S/C22H26O8/c1-12-17(24)18(25)22(11-28-13(2)23)16(4-3-6-20(22)10-29-20)21(12)8-15(30-19(21)26)14-5-7-27-9-14/h5,7,9,12,15-17,24H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,20+,21-,22+/m1/s1 |
InChI Key | OTBYKTCXWWCEQU-YOKDNFLFSA-N |
Popularity | 0 references 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 | 0.90 |
There are no found synonyms. |
![2D Structure of CID 163036187 2D Structure of CID 163036187](https://plantaedb.com/storage/docs/compounds/2023/11/cid-163036187.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 | 96.75% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.82% | 90.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.02% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.67% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.07% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.78% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.57% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.34% | 94.80% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.27% | 85.14% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.55% | 95.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.32% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.26% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 82.22% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.39% | 99.23% |
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 polium |
PubChem | 163036187 |
LOTUS | LTS0276009 |
wikiData | Q105199480 |