(8,10-Dihydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) hexadecanoate
| Internal ID | 3726b01f-f599-4836-8d50-4b9c486a2f02 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (8,10-dihydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)C(CC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)O)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)C(CC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)O)C)C |
| InChI | InChI=1S/C46H80O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(49)50-39-27-28-43(6)36(42(39,4)5)26-29-45(8)37(43)25-24-34-41-33(3)32(2)35(47)30-44(41,7)38(48)31-46(34,45)9/h33-39,41,47-48H,2,10-31H2,1,3-9H3 |
| InChI Key | CKKOXKFYAIHGBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H80O4 |
| Molecular Weight | 697.10 g/mol |
| Exact Mass | 696.60566103 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 14.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.85% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.56% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.54% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.60% | 99.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.41% | 96.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.76% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.44% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.31% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.16% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.00% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.97% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.96% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.40% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.38% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.11% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.83% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.10% | 82.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.14% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.07% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.78% | 91.11% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 84.53% | 91.83% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.98% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.84% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.35% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.27% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.26% | 97.29% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.09% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.72% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.65% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.40% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.08% | 95.89% |
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.
| Arnica lonchophylla |
| PubChem | 162934249 |
| LOTUS | LTS0169559 |
| wikiData | Q104962433 |