(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,16R)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-ol
| Internal ID | 4ee1e1fe-3b3e-42dd-9605-b005274f194c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,16R)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H60O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-19,21,24,26,32,36,41H,15,20,22-23,25,27-29H2,1-10H3/b12-11+,18-13+,19-14+,26-24+,30-16+,31-17+,33-21+/t32-,36+/m0/s1 |
| InChI Key | GMIFARVLXYYPTL-BLWSHBTCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H60O |
| Molecular Weight | 556.90 g/mol |
| Exact Mass | 556.464416533 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,16R)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dada0bf0-8745-11ee-a5b2-a9c81e59d305.jpg "2D Structure of (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,16R)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.69% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.82% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.79% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.20% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.85% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.76% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.32% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.96% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.47% | 91.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.34% | 90.71% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 85.35% | 100.00% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 85.13% | 95.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 84.94% | 91.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.47% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.46% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.11% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.89% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.14% | 99.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.57% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.57% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.82% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.60% | 99.35% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.73% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 163033931 |
| LOTUS | LTS0078581 |
| wikiData | Q105011852 |