(4R,5R,6R)-5-[(4R,7R,8S,10R,11R)-8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one
| Internal ID | 4edad096-7b83-4332-a49b-fb03d483ef87 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (4R,5R,6R)-5-[(4R,7R,8S,10R,11R)-8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one |
| SMILES (Canonical) | CCC1C(=O)C=CC(C1(C)CCCC(C)CCC(C)C(CC(C(CC)CO)O)O)(C)O |
| SMILES (Isomeric) | CC[C@H]1C(=O)C=C[C@@]([C@]1(C)CCC[C@@H](C)CC[C@@H](C)[C@H](C[C@H]([C@H](CC)CO)O)O)(C)O |
| InChI | InChI=1S/C26H48O5/c1-7-20(17-27)24(30)16-23(29)19(4)12-11-18(3)10-9-14-25(5)21(8-2)22(28)13-15-26(25,6)31/h13,15,18-21,23-24,27,29-31H,7-12,14,16-17H2,1-6H3/t18-,19-,20-,21+,23+,24-,25-,26-/m1/s1 |
| InChI Key | HDAGCVMZABLHLE-QBTKHTKJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H48O5 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (4R,5R,6R)-5-[(4R,7R,8S,10R,11R)-8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3d122d90-83ad-11ee-9e86-41579e92d3f0.jpg "2D Structure of (4R,5R,6R)-5-[(4R,7R,8S,10R,11R)-8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.86% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.28% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.98% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.38% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.35% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.48% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.13% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.63% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.98% | 89.34% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.50% | 92.86% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.87% | 93.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.01% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.48% | 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.
| Momordica charantia |
| PubChem | 162843490 |
| LOTUS | LTS0238630 |
| wikiData | Q105026222 |