Helianyl octanoate
| Internal ID | bd405f6f-3167-4bbd-a568-f987c5a275f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[3a,5a,9b-trimethyl-3-(6-methylhept-5-en-2-yl)-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl octanoate |
| SMILES (Canonical) | CCCCCCCC(=O)OCCCC1C(=C(C)C)CCC2C1(CCC3(C2(CCC3C(C)CCC=C(C)C)C)C)C |
| SMILES (Isomeric) | CCCCCCCC(=O)OCCCC1C(=C(C)C)CCC2C1(CCC3(C2(CCC3C(C)CCC=C(C)C)C)C)C |
| InChI | InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3 |
| InChI Key | AFZHQMQGUKDWSJ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C38H66O2 |
| Molecular Weight | 554.90 g/mol |
| Exact Mass | 554.50628134 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 13.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.47% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.82% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.78% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.97% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.90% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.26% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.96% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.69% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.62% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.35% | 97.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.14% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.97% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.88% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 91.50% | 96.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.94% | 82.69% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 90.84% | 90.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 90.76% | 97.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.92% | 98.03% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.79% | 94.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.49% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.08% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.96% | 85.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.75% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.59% | 91.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.21% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.22% | 92.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.43% | 94.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.02% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.87% | 92.62% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.61% | 89.92% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.50% | 96.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.44% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.90% | 99.23% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.72% | 87.45% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.91% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.81% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.59% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.66% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.50% | 98.75% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.30% | 96.25% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.24% | 98.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.02% | 95.71% |
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.
| Helianthus annuus |
| PubChem | 131752338 |
| LOTUS | LTS0149302 |
| wikiData | Q104911653 |