Methyl 7-formyl-4,7a-dihydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroindene-1-carboxylate
| Internal ID | 15e4ee1a-0b69-4bb8-ad8f-2b0a95894332 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | methyl 7-formyl-4,7a-dihydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroindene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H26O5/c1-9-6-11(18)12-14(2,3)8-15(4,13(19)21-5)16(12,20)10(9)7-17/h7,9-12,18,20H,6,8H2,1-5H3 |
| InChI Key | RSSBVGMNANJWQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26O5 |
| Molecular Weight | 298.37 g/mol |
| Exact Mass | 298.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.78% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.37% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.31% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.60% | 95.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.79% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.91% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.06% | 96.95% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.62% | 95.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.82% | 91.07% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.81% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.03% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.74% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.66% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 82.35% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.04% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.81% | 96.77% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.38% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.15% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 74028112 |
| LOTUS | LTS0227527 |
| wikiData | Q105244851 |