Sarracenin
Internal ID | c2a35450-0419-4917-9bac-e525d1f26bc5 |
Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,3-dioxanes |
IUPAC Name | methyl 9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate |
SMILES (Canonical) | CC1C2C3CC(O1)OC2OC=C3C(=O)OC |
SMILES (Isomeric) | CC1C2C3CC(O1)OC2OC=C3C(=O)OC |
InChI | InChI=1S/C11H14O5/c1-5-9-6-3-8(15-5)16-11(9)14-4-7(6)10(12)13-2/h4-6,8-9,11H,3H2,1-2H3 |
InChI Key | QGBCGMGBGAHJIT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H14O5 |
Molecular Weight | 226.23 g/mol |
Exact Mass | 226.08412354 g/mol |
Topological Polar Surface Area (TPSA) | 54.00 Ų |
XlogP | 0.80 |
59653-37-1 |
methyl 9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate |
CHEMBL1982244 |
DTXSID60330214 |
NSC224069 |
NSC-224069 |
E80753 |
2,5H-pyrano[2,3-d]-1,3-dioxin-6-carboxylic acid, 4a,8a-dihydro-4-methyl-, methyl ester, (2.alpha.,4.beta.,4a.beta.,5.alpha.,8a.beta.)-(-)- |
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 | 96.39% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.09% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.26% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.60% | 86.33% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.84% | 96.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.34% | 91.19% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
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.
Guettarda grazielae |
Isertia haenkeana |
Strychnos cocculoides |
PubChem | 427877 |
LOTUS | LTS0150648 |
wikiData | Q82094241 |