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)pentan-1-ol
| Internal ID | 9a1a90d9-ef0c-4448-b6a6-1f7d8e20dca1 |
| 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)pentan-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H56O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h22-27,33H,8-21H2,1-7H3 |
| InChI Key | PLFFHJWXOGYWPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H56O |
| Molecular Weight | 456.80 g/mol |
| Exact Mass | 456.433116406 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 11.00 |
| 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)pentan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/eeeea490-86a3-11ee-8559-ebe5bcc7edef.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)pentan-1-ol")
| 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 | 98.88% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.10% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.41% | 98.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.53% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.38% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.87% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.42% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.27% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.06% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.07% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.75% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.41% | 90.08% |
| CHEMBL268 | P43235 | Cathepsin K | 84.36% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.14% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.03% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.88% | 87.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.57% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.26% | 90.71% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.47% | 97.50% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.33% | 95.92% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.09% | 88.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.91% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.88% | 95.93% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.22% | 97.29% |
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 | 14334643 |
| LOTUS | LTS0055331 |
| wikiData | Q105210884 |