6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate
| Internal ID | 688966a6-8242-4e41-9fc0-98754f64cc1a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | 1-O-methyl 18-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H60O4/c1-34(2)18-13-21-37(5)23-14-24-38(6)25-16-27-40(8)32-33-47-42(44)31-30-39(7)26-15-22-35(3)19-11-12-20-36(4)28-17-29-41(9)43(45)46-10/h11-12,15,17-20,22-23,25-26,28-32H,13-14,16,21,24,27,33H2,1-10H3/b12-11+,22-15+,28-17+,31-30+,35-19+,36-20+,37-23+,38-25+,39-26+,40-32+,41-29+ |
| InChI Key | KJAWBWQJDQHEDL-KQTSZGLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H60O4 |
| Molecular Weight | 640.90 g/mol |
| Exact Mass | 640.44916039 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 14.00 |
| CHEBI:172782 |
| DTXSID801099088 |
| 1-Methyl 18-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl] (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-octadecaoctaenedioate |
| 1-O-methyl 18-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenedioate |
| 247030-33-7 |
| 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 | 93.65% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.38% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.11% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.09% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.29% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.01% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.57% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.06% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.12% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.86% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.35% | 91.07% |
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.
| Bixa orellana |
| PubChem | 15491080 |
| LOTUS | LTS0176674 |
| wikiData | Q105141764 |