7a-Acetyl-4a-hydroxy-2,6,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrocyclopenta[b]pyran-5-one
| Internal ID | 472df92e-e5dc-459b-a9c6-792c7860721c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 7a-acetyl-4a-hydroxy-2,6,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrocyclopenta[b]pyran-5-one |
| SMILES (Canonical) | CC1=C(C2(C(C1=O)(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)O)C(=O)C)C |
| SMILES (Isomeric) | CC1=C(C2(C(C1=O)(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)O)C(=O)C)C |
| InChI | InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(32)26(31)23(5)24(6)29(28,33-27)25(7)30/h20-22,32H,9-19H2,1-8H3 |
| InChI Key | XJXVHMRPDRDXEA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O4 |
| Molecular Weight | 462.70 g/mol |
| Exact Mass | 462.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 7a-Acetyl-4a-hydroxy-2,6,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrocyclopenta[b]pyran-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/0b160f50-8707-11ee-b7c1-23fa3a94967b.jpg "2D Structure of 7a-Acetyl-4a-hydroxy-2,6,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrocyclopenta[b]pyran-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.58% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.58% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.30% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.90% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.13% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.75% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.98% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.67% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.06% | 100.00% |
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.
| Ficus pumila |
| PubChem | 45360355 |
| LOTUS | LTS0159003 |
| wikiData | Q105329298 |