Tornabeatin B
| Internal ID | c2d6e421-3048-4853-a175-516ce1c1097b |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (3Z,5R)-5-(hydroxymethyl)-5-methyl-3-[(Z)-octadec-9-enylidene]oxolan-2-one |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC=C1CC(OC1=O)(C)CO |
| SMILES (Isomeric) | CCCCCCCC/C=C\CCCCCCC/C=C\1/C[C@](OC1=O)(C)CO |
| InChI | InChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-24(2,21-25)27-23(22)26/h10-11,19,25H,3-9,12-18,20-21H2,1-2H3/b11-10-,22-19-/t24-/m1/s1 |
| InChI Key | CLXWJGFIWMDDFW-LGMYWSDMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H42O3 |
| Molecular Weight | 378.60 g/mol |
| Exact Mass | 378.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL299 | P17252 | Protein kinase C alpha | 99.08% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.65% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.68% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.42% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.85% | 97.29% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.42% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.17% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.07% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.52% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.04% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.07% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.51% | 94.73% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.53% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.61% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.05% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 11463081 |
| LOTUS | LTS0075767 |
| wikiData | Q77521818 |