Biverlactone B
| Internal ID | 73facd4a-ec30-4af8-a09d-c5a158880535 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (3Z)-3-[(5S,6R)-5-hydroxy-6-[(E)-4-methyldec-2-en-2-yl]-2-oxooxan-3-ylidene]propanoic acid |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C1C(CC(=CCC(=O)O)C(=O)O1)O |
| SMILES (Isomeric) | CCCCCCC(C)/C=C(\C)/[C@@H]1[C@H](C/C(=C/CC(=O)O)/C(=O)O1)O |
| InChI | InChI=1S/C19H30O5/c1-4-5-6-7-8-13(2)11-14(3)18-16(20)12-15(19(23)24-18)9-10-17(21)22/h9,11,13,16,18,20H,4-8,10,12H2,1-3H3,(H,21,22)/b14-11+,15-9-/t13?,16-,18+/m0/s1 |
| InChI Key | XMARGTUPGWFYOK-WGUFFWDHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.50 |
| 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 | 98.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.70% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.49% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.37% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.70% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.26% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.10% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.75% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.36% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.87% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.76% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.94% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.50% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.77% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.59% | 92.08% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.83% | 90.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.50% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.37% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.31% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.22% | 97.06% |
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 | 139586882 |
| LOTUS | LTS0191705 |
| wikiData | Q77516768 |