Ginamallene
| Internal ID | 0a8cb12a-b7bf-42b8-8727-ceb49aa66ab7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | [(7Z)-4-(1-acetyloxybuta-2,3-dienyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O5/c1-6-8-20(26-16(4)23)19-13-25-22(27-17(5)24)21-15(3)10-7-9-14(2)11-12-18(19)21/h8-9,13,18,20-22H,1,3,7,10-12H2,2,4-5H3/b14-9- |
| InChI Key | FTSIEZFCVAYBNU-ZROIWOOFSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 2.70 |
| 116242-03-6 |
| Cyclonona(c)pyran-4-methanol, 1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-alpha-1,2-propadienyl-, acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.40% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.30% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.12% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.58% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.79% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.98% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.71% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.42% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.24% | 94.80% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.88% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.83% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.65% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 83.38% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.99% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.29% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.73% | 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.
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| There are no matching plants. |
| PubChem | 6443353 |
| LOTUS | LTS0093149 |
| wikiData | Q104394259 |