1-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-methylidenecyclohex-3-en-1-ol
| Internal ID | 430c2c81-f22e-41cb-ad1f-c162bd69753a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 1-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-methylidenecyclohex-3-en-1-ol |
| SMILES (Canonical) | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(=C)C=CCC2(C)C)O)C)C |
| SMILES (Isomeric) | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(=C)C=CCC2(C)C)O)C)C |
| InChI | InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3 |
| InChI Key | BYJIOUBZISYXSQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H54O2 |
| Molecular Weight | 566.90 g/mol |
| Exact Mass | 566.412380961 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of 1-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-methylidenecyclohex-3-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b6b69de0-86fb-11ee-ae26-4fbe366a8c86.jpg "2D Structure of 1-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-methylidenecyclohex-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.88% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.02% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.68% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.69% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.34% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.92% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.67% | 90.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.99% | 97.79% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 84.83% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 84.41% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.92% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.99% | 98.95% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 81.02% | 91.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.59% | 92.94% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.56% | 91.71% |
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.
| Capsicum annuum |
| PubChem | 162864322 |
| LOTUS | LTS0099379 |
| wikiData | Q104392336 |