(2R)-2-methyl-1-[(2S,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol
| Internal ID | 829329b4-a71f-49e5-8f1e-62554afb1459 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2R)-2-methyl-1-[(2S,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol |
| SMILES (Canonical) | CC1=CC(OC(C1)C=C(C)C)CC(C)(C=C)O |
| SMILES (Isomeric) | CC1=C[C@H](O[C@@H](C1)C=C(C)C)C[C@](C)(C=C)O |
| InChI | InChI=1S/C15H24O2/c1-6-15(5,16)10-14-9-12(4)8-13(17-14)7-11(2)3/h6-7,9,13-14,16H,1,8,10H2,2-5H3/t13-,14+,15+/m1/s1 |
| InChI Key | NNCJOVBGLCRHAN-ILXRZTDVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2R)-2-methyl-1-[(2S,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-methyl-1-2s6r-4-methyl-2-2-methylprop-1-enyl-36-dihydro-2h-pyran-6-ylbut-3-en-2-ol.jpg "2D Structure of (2R)-2-methyl-1-[(2S,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]but-3-en-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.29% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.72% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.90% | 90.93% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.84% | 99.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.59% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.15% | 97.25% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.98% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.59% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.40% | 96.95% |
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.
| Santolina oblongifolia |
| PubChem | 163023374 |
| LOTUS | LTS0221923 |
| wikiData | Q105182064 |