2-Acetyl-12-acetyloxy-7-ethyl-3-(3-hydroxypentanoyloxy)-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysene-1-carboxylic acid
| Internal ID | ac26bf33-367e-47ad-9eb7-8603087c37d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 2-acetyl-12-acetyloxy-7-ethyl-3-(3-hydroxypentanoyloxy)-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H54O8/c1-9-21(37)16-27(38)42-22-17-25-33(7)15-12-23-31(5,10-2)13-11-14-32(23,6)24(33)18-26(41-20(4)36)34(25,8)29(30(39)40)28(22)19(3)35/h21-26,28-29,37H,9-18H2,1-8H3,(H,39,40) |
| InChI Key | VFBXOXMDEZSTGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H54O8 |
| Molecular Weight | 590.80 g/mol |
| Exact Mass | 590.38186868 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 6.50 |
| 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 | 98.05% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.79% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.99% | 98.10% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.88% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.63% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.42% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.81% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.71% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.01% | 89.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.76% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.13% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.97% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.85% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.12% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.11% | 95.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.06% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.80% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.70% | 100.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.98% | 97.53% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.62% | 97.64% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.23% | 92.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.86% | 97.93% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.00% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.02% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.87% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.46% | 97.29% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.43% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.19% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.96% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 80.92% | 97.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.54% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.02% | 92.50% |
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 | 73306469 |
| LOTUS | LTS0080602 |
| wikiData | Q105285104 |