Neomenthyl acetate
Internal ID | 7c29b3e7-3e9e-434b-ba49-79d374de0ec8 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
IUPAC Name | [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate |
SMILES (Canonical) | CC1CCC(C(C1)OC(=O)C)C(C)C |
SMILES (Isomeric) | C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C)C(C)C |
InChI | InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1 |
InChI Key | XHXUANMFYXWVNG-USWWRNFRSA-N |
Popularity | 19 references in papers |
Molecular Formula | C12H22O2 |
Molecular Weight | 198.30 g/mol |
Exact Mass | 198.161979940 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 3.60 |
2552-91-2 |
Neomenthyl acetate |
(+)-Neomenthyl acetate |
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate |
d-Neomenthyl acetate |
(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl acetate |
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1S,2S,5R)- |
Neomenthol acetate |
mentyl acetate |
Menthol, acetate, (1R,3S,4S)-(+)- |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Neomenthyl acetate 2D Structure of Neomenthyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/neomenthyl-acetate.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.11% | 91.19% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.91% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 87.79% | 98.95% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.68% | 95.71% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.90% | 97.53% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.64% | 95.89% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.46% | 96.47% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.61% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.96% | 97.09% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.15% | 94.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.08% | 89.50% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.81% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.73% | 85.14% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.55% | 94.80% |
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.
Mentha × piperita |
Mentha arvensis |
PubChem | 75699 |
LOTUS | LTS0159123 |
wikiData | Q27149810 |