8,11,12,13,15,16-Hexahydroxy-4,8,12,16-tetramethyloctadec-5-en-7-one
| Internal ID | 788f9317-f673-442e-85cb-d52f822b02d3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | 8,11,12,13,15,16-hexahydroxy-4,8,12,16-tetramethyloctadec-5-en-7-one |
| SMILES (Canonical) | CCCC(C)C=CC(=O)C(C)(CCC(C(C)(C(CC(C(C)(CC)O)O)O)O)O)O |
| SMILES (Isomeric) | CCCC(C)C=CC(=O)C(C)(CCC(C(C)(C(CC(C(C)(CC)O)O)O)O)O)O |
| InChI | InChI=1S/C22H42O7/c1-7-9-15(3)10-11-16(23)21(5,28)13-12-17(24)22(6,29)19(26)14-18(25)20(4,27)8-2/h10-11,15,17-19,24-29H,7-9,12-14H2,1-6H3 |
| InChI Key | ROJKRLZBQTVDQH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H42O7 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
| 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 | 96.15% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.07% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.94% | 89.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 92.56% | 99.35% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.13% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.09% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.43% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.40% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 85.54% | 98.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.52% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.11% | 93.31% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 84.19% | 93.85% |
| CHEMBL268 | P43235 | Cathepsin K | 84.00% | 96.85% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.94% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.50% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.01% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.59% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.32% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.58% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.04% | 90.71% |
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.
| Rumex maritimus |
| PubChem | 162935716 |
| LOTUS | LTS0031064 |
| wikiData | Q105242256 |