[(1R,3S,4R,6R,10S)-3-hydroxy-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methyl (Z)-2-methylbut-2-enoate
| Internal ID | 94618b95-215d-4510-9eac-f4a1fc80bc05 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,3S,4R,6R,10S)-3-hydroxy-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methyl (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC12C(O1)CCC(=C)C3CC(C3CC2O)(C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC[C@@]12[C@H](O1)CCC(=C)[C@H]3CC([C@@H]3C[C@@H]2O)(C)C |
| InChI | InChI=1S/C20H30O4/c1-6-12(2)18(22)23-11-20-16(21)9-15-14(10-19(15,4)5)13(3)7-8-17(20)24-20/h6,14-17,21H,3,7-11H2,1-2,4-5H3/b12-6-/t14-,15-,16+,17-,20-/m1/s1 |
| InChI Key | PLGNMEYDFUAPRS-SNIQRXAWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [(1R,3S,4R,6R,10S)-3-hydroxy-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methyl (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f78fca20-8619-11ee-ba9f-81baba58da65.jpg "2D Structure of [(1R,3S,4R,6R,10S)-3-hydroxy-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methyl (Z)-2-methylbut-2-enoate")
| 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 | 97.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.79% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.73% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.52% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.87% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.69% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.66% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.64% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.39% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.48% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.32% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.06% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.35% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.27% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.60% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.33% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.28% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.92% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
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.
| Polyachyrus fuscus |
| PubChem | 162964756 |
| LOTUS | LTS0115765 |
| wikiData | Q105210903 |