[(2Z,7S,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl] (Z)-octadec-9-enoate
Internal ID | 6f33297b-db9a-4fc7-a544-c263bee429df |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
IUPAC Name | [(2Z,7S,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl] (Z)-octadec-9-enoate |
SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)OCC=C(C)CCCC(C)CC(C=C(C)C)O |
SMILES (Isomeric) | CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(/C)\CCC[C@H](C)C[C@H](C=C(C)C)O |
InChI | InChI=1S/C33H60O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33(35)36-26-25-30(4)22-21-23-31(5)28-32(34)27-29(2)3/h13-14,25,27,31-32,34H,6-12,15-24,26,28H2,1-5H3/b14-13-,30-25-/t31-,32-/m0/s1 |
InChI Key | JQRCVVVXUVVPQP-JNUNPHRLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H60O3 |
Molecular Weight | 504.80 g/mol |
Exact Mass | 504.45424577 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 12.10 |
There are no found synonyms. |
![2D Structure of [(2Z,7S,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl] (Z)-octadec-9-enoate 2D Structure of [(2Z,7S,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl] (Z)-octadec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2z7s9r-9-hydroxy-3711-trimethyldodeca-210-dienyl-z-octadec-9-enoate.jpg)
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 |
---|---|---|---|---|
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.96% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 98.14% | 98.95% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.68% | 97.29% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.00% | 92.08% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.56% | 89.63% |
CHEMBL299 | P17252 | Protein kinase C alpha | 92.96% | 98.03% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.62% | 93.56% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.05% | 90.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.87% | 91.11% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.34% | 100.00% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.26% | 92.86% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.16% | 91.19% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.08% | 100.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.55% | 96.47% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.09% | 91.81% |
CHEMBL236 | P41143 | Delta opioid receptor | 85.63% | 99.35% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.15% | 82.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.43% | 90.71% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.11% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.90% | 94.73% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.56% | 92.50% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.67% | 94.33% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.36% | 89.34% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.31% | 96.95% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.20% | 96.90% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.75% | 96.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.13% | 96.00% |
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.
Urolepis hecatantha |
PubChem | 163093764 |
LOTUS | LTS0200999 |
wikiData | Q105133622 |