(7Z)-7-methyl-11-methylidene-4-penta-3,4-dienyl-1,4,4a,5,6,9,10,11a-octahydrocyclonona[c]pyran-3-one
| Internal ID | 4c27a7f0-0031-44c0-923e-4e6f80a9420f |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (7Z)-7-methyl-11-methylidene-4-penta-3,4-dienyl-1,4,4a,5,6,9,10,11a-octahydrocyclonona[c]pyran-3-one |
| SMILES (Canonical) | CC1=CCCC(=C)C2COC(=O)C(C2CC1)CCC=C=C |
| SMILES (Isomeric) | C/C/1=C/CCC(=C)C2COC(=O)C(C2CC1)CCC=C=C |
| InChI | InChI=1S/C19H26O2/c1-4-5-6-10-17-16-12-11-14(2)8-7-9-15(3)18(16)13-21-19(17)20/h5,8,16-18H,1,3,6-7,9-13H2,2H3/b14-8- |
| InChI Key | SPNRZPGMBDYJAQ-ZSOIEALJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O2 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (7Z)-7-methyl-11-methylidene-4-penta-3,4-dienyl-1,4,4a,5,6,9,10,11a-octahydrocyclonona[c]pyran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/7z-7-methyl-11-methylidene-4-penta-34-dienyl-144a5691011a-octahydrocyclononacpyran-3-one.jpg "2D Structure of (7Z)-7-methyl-11-methylidene-4-penta-3,4-dienyl-1,4,4a,5,6,9,10,11a-octahydrocyclonona[c]pyran-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.07% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.39% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.46% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.46% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.93% | 89.34% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.40% | 96.43% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.32% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.03% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.11% | 97.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.00% | 83.57% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.59% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.24% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 13995005 |
| LOTUS | LTS0197273 |
| wikiData | Q104394261 |