R-(+)-Marmin-6'-cis-vaccenoate
| Internal ID | 6b5b9fd3-cede-4bda-afca-44d9b4dd0ef4 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | [(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] (Z)-octadec-11-enoate |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCCCC(=O)OC(CCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C(C)(C)O |
| SMILES (Isomeric) | CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C(C)(C)O |
| InChI | InChI=1S/C37H56O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(38)43-34(37(3,4)40)25-21-30(2)27-28-41-32-24-22-31-23-26-36(39)42-33(31)29-32/h10-11,22-24,26-27,29,34,40H,5-9,12-21,25,28H2,1-4H3/b11-10-,30-27+/t34-/m1/s1 |
| InChI Key | RGIBFXLLLNMYOY-YZLPGLLOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C37H56O6 |
| Molecular Weight | 596.80 g/mol |
| Exact Mass | 596.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 11.00 |
| R-(+)-Marmin-6'-cis-vaccenoate |
| BDBM50490809 |
| R-(+)-Marmin-6''''-cis-vaccenoate |
| R-(+)-MARMIN-6''-CIS-VACCENOATE |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.60% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.15% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.66% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.18% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.69% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.46% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.59% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.48% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.50% | 97.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.09% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.36% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.23% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.75% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.73% | 85.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.51% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.99% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.96% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.37% | 80.33% |
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.
| Aegle marmelos |
| PubChem | 71584691 |
| LOTUS | LTS0227356 |
| wikiData | Q105235859 |