[(2R,3S,4R,5R,6S)-6-[[(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
| Internal ID | 6550f330-e486-44ba-a2e3-7c6ef0281a9b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(2R,3S,4R,5R,6S)-6-[[(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(OC(C(C1O)O)OC2(CCC34C2C3C(CCC4C)C(C)C)C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@]2(CC[C@]34[C@H]2[C@H]3[C@@H](CC[C@H]4C)C(C)C)C)C |
| InChI | InChI=1S/C26H42O6/c1-8-14(4)23(29)31-21-16(6)30-24(20(28)19(21)27)32-25(7)11-12-26-15(5)9-10-17(13(2)3)18(26)22(25)26/h8,13,15-22,24,27-28H,9-12H2,1-7H3/b14-8-/t15-,16-,17+,18-,19-,20-,21-,22+,24+,25-,26-/m1/s1 |
| InChI Key | SXLHYYKUUPZWRV-BPEQPDIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O6 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-6-[[(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/c52b5640-86b8-11ee-905d-c38685b88ca0.jpg "2D Structure of [(2R,3S,4R,5R,6S)-6-[[(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.27% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.24% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 92.07% | 91.24% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 91.16% | 97.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.48% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.92% | 98.75% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.89% | 95.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.55% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.24% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.18% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.66% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.52% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.17% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.39% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.23% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.81% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.51% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.37% | 99.23% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.36% | 97.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.88% | 95.89% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.49% | 92.78% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.96% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.54% | 94.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.34% | 85.31% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.24% | 97.31% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.17% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.17% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.43% | 89.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.33% | 98.99% |
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.
| Monarda didyma |
| Osteospermum auriculatum |
| PubChem | 163041230 |
| LOTUS | LTS0137105 |
| wikiData | Q105328111 |