5-Hydroxy-7-(4-hydroxydec-2(3)-enoyl) botrylactone
| Internal ID | cb7bf315-a9d7-464a-b904-69d79f43184f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (1R,2R,5R,6S,7S,8S,9S,10R)-8-hydroxy-10-(4-hydroxydec-2-enoxy)-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one |
| SMILES (Canonical) | CCCCCCC(C=CCOC1C(C(C2(C3C(C(=O)OC(C1(O2)C)(O3)C)C)C)O)C)O |
| SMILES (Isomeric) | CCCCCCC(C=CCO[C@@H]1[C@H]([C@@H]([C@]2([C@@H]3[C@H](C(=O)O[C@]([C@@]1(O2)C)(O3)C)C)C)O)C)O |
| InChI | InChI=1S/C24H40O7/c1-7-8-9-10-12-17(25)13-11-14-28-20-15(2)18(26)22(4)19-16(3)21(27)30-24(6,29-19)23(20,5)31-22/h11,13,15-20,25-26H,7-10,12,14H2,1-6H3/t15-,16+,17?,18-,19-,20+,22-,23+,24+/m0/s1 |
| InChI Key | IWOGBRLVZBYBFT-TYOYNPPUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H40O7 |
| Molecular Weight | 440.60 g/mol |
| Exact Mass | 440.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.54% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.87% | 85.14% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.72% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.68% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.68% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.84% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.29% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.25% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.78% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.28% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.95% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.50% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.35% | 82.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.51% | 93.56% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.36% | 92.32% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.08% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.04% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.00% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.65% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.09% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.83% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.02% | 96.90% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.44% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.44% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.43% | 89.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.36% | 91.81% |
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.
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| There are no matching plants. |
| PubChem | 139583877 |
| LOTUS | LTS0079498 |
| wikiData | Q75068762 |