4-(5a,5b,8,8,11a,13b-Hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)pentyl acetate
| Internal ID | a873f848-e5f8-4924-9a50-cd1060279917 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | 4-(5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)pentyl acetate |
| SMILES (Canonical) | CC(CCCOC(=O)C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| SMILES (Isomeric) | CC(CCCOC(=O)C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| InChI | InChI=1S/C34H58O2/c1-23(11-9-22-36-24(2)35)25-14-19-31(5)26(25)15-20-33(7)28(31)12-13-29-32(6)18-10-17-30(3,4)27(32)16-21-34(29,33)8/h23,25-29H,9-22H2,1-8H3 |
| InChI Key | YHXLYBAPAPGTCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H58O2 |
| Molecular Weight | 498.80 g/mol |
| Exact Mass | 498.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.50 |
| There are no found synonyms. |
![2D Structure of 4-(5a,5b,8,8,11a,13b-Hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)pentyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/81e14d20-85e0-11ee-9f02-e131666bc00c.jpg "2D Structure of 4-(5a,5b,8,8,11a,13b-Hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)pentyl acetate")
| 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 | 99.33% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.52% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.62% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.46% | 94.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.82% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.44% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.75% | 85.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.12% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.30% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.47% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.61% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.57% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.52% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.49% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.27% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.15% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.36% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.10% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.99% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.94% | 97.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.12% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 80.03% | 96.85% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.03% | 92.95% |
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 | 14831181 |
| LOTUS | LTS0069959 |
| wikiData | Q104201725 |