[(1R,2S,4R,6R,7R,8R)-6-acetyloxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
Internal ID | 351afc30-3570-40e4-8f7d-708f86ac43d0 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
IUPAC Name | [(1R,2S,4R,6R,7R,8R)-6-acetyloxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1CC(C2(C3C(C2C(=O)C=C3C)C1(C)C)C)OC(=O)C |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C[C@H]([C@@]2([C@@H]3[C@@H]([C@H]2C(=O)C=C3C)C1(C)C)C)OC(=O)C |
InChI | InChI=1S/C22H30O5/c1-8-11(2)20(25)27-15-10-16(26-13(4)23)22(7)17-12(3)9-14(24)18(22)19(17)21(15,5)6/h8-9,15-19H,10H2,1-7H3/b11-8-/t15-,16-,17+,18-,19+,22-/m1/s1 |
InChI Key | NDAJKZJCHFSTHB-SSJYXTESSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H30O5 |
Molecular Weight | 374.50 g/mol |
Exact Mass | 374.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 69.70 Ų |
XlogP | 3.40 |
There are no found synonyms. |
![2D Structure of [(1R,2S,4R,6R,7R,8R)-6-acetyloxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate 2D Structure of [(1R,2S,4R,6R,7R,8R)-6-acetyloxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/a798e850-8426-11ee-8690-2948ed3a4858.jpg)
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 | 93.94% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.76% | 97.21% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.82% | 96.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.99% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.79% | 99.23% |
CHEMBL2581 | P07339 | Cathepsin D | 86.79% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.46% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.44% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.25% | 100.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.00% | 91.07% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.43% | 97.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.26% | 92.94% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.08% | 93.00% |
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.
Stevia lucida |
Stevia salicifolia |
PubChem | 162987756 |
LOTUS | LTS0093984 |
wikiData | Q105177461 |