Octadecanoic acid, (6,7-dihydro-4-methyl-7-(1-methylethenyl)-1-azulenyl)methyl ester
| Internal ID | 938077f8-6536-45a4-bacc-e158378dde2f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4-methyl-7-prop-1-en-2-yl-6,7-dihydroazulen-1-yl)methyl octadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21,23-25,29H,2,5-20,22,26H2,1,3-4H3 |
| InChI Key | JJOMKEHSADWVHT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H52O2 |
| Molecular Weight | 480.80 g/mol |
| Exact Mass | 480.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.30 |
| 52898-98-3 |
| Q4W0C0YX2Z |
| Octadecanoic acid, (6,7-dihydro-4-methyl-7-(1-methylethenyl)-1-azulenyl)methyl ester |
| 14-Hydroxyguai-1,3,5,9,11-pentaene stearate |
| CCRIS 3671 |
| BRN 2400690 |
| 1-(7-Isopropenyl-4-methyl) octadecanoic acid azulenyl methyl ester |
| UNII-Q4W0C0YX2Z |
| DTXSID40967360 |
| (7-Isopropenyl-4-methyl-6,7-dihydro-1-az |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.25% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.91% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.47% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.45% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.69% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.94% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.79% | 92.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.74% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.47% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.11% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.78% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.86% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.07% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.06% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.62% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.45% | 100.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 80.34% | 98.57% |
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 | 198288 |
| LOTUS | LTS0080001 |
| wikiData | Q27286998 |