3,6,8,8-Tetramethyl-2-(4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl)-7-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene
| Internal ID | 16431852-2000-4845-8a22-a325a489bbd8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 3,6,8,8-tetramethyl-2-(4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl)-7-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene |
| SMILES (Canonical) | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C3(CCC2(C)C)OC(C(O3)(C)CCC(C)C(=C)CCC(C)C(=C)C)CCC=C(C)CCC(C)C(=C)CCC(C)C(=C)C)C)C)C |
| SMILES (Isomeric) | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C3(CCC2(C)C)OC(C(O3)(C)CCC(C)C(=C)CCC(C)C(=C)C)CCC=C(C)CCC(C)C(=C)CCC(C)C(=C)C)C)C)C |
| InChI | InChI=1S/C74H112O2/c1-53(2)60(10)42-44-63(13)62(12)41-38-57(7)35-27-37-70-73(22,50-48-65(15)64(14)45-43-61(11)54(3)4)76-74(75-70)52-51-72(20,21)69(67(74)17)47-40-59(9)34-26-32-56(6)30-24-23-29-55(5)31-25-33-58(8)39-46-68-66(16)36-28-49-71(68,18)19/h23-26,29-35,39-40,46-47,60-62,65,70H,1,3,13-14,27-28,36-38,41-45,48-52H2,2,4-12,15-22H3 |
| InChI Key | SNYODJNKBVCEKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C74H112O2 |
| Molecular Weight | 1033.70 g/mol |
| Exact Mass | 1032.86623281 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 25.10 |
| There are no found synonyms. |
![2D Structure of 3,6,8,8-Tetramethyl-2-(4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl)-7-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene](https://plantaedb.com/storage/docs/compounds/2023/11/5a73ef60-864d-11ee-903e-bf2c135739b0.jpg "2D Structure of 3,6,8,8-Tetramethyl-2-(4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl)-7-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-ene")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.26% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.56% | 83.82% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 95.17% | 91.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 92.56% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 92.44% | 100.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.65% | 95.34% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.99% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.99% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.54% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.51% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.75% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.52% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.26% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.81% | 94.73% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 84.72% | 97.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.33% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.23% | 89.50% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.14% | 95.92% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.09% | 93.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.77% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.71% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.63% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.27% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.17% | 90.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.83% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.81% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.76% | 94.45% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 80.65% | 95.52% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73190843 |
| LOTUS | LTS0129693 |
| wikiData | Q105343256 |