Arthrobacilin B
| Internal ID | d4cb6912-9a8b-4db3-a714-d0b9e143fe4f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (3R,14R,25R)-9,10,11,20,21,22,31,32,33-nonahydroxy-3,14-di(nonyl)-25-undecyl-2,6,13,17,24,28,34,35,36-nonaoxatetracyclo[28.3.1.18,12.119,23]hexatriacontane-5,16,27-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H100O21/c1-4-7-10-13-16-17-20-23-26-29-38-32-44(59)71-35-40-46(61)49(64)52(67)55(76-40)73-36(27-24-21-18-14-11-8-5-2)30-42(57)69-33-39-45(60)48(63)51(66)54(75-39)72-37(28-25-22-19-15-12-9-6-3)31-43(58)70-34-41-47(62)50(65)53(68)56(74-38)77-41/h36-41,45-56,60-68H,4-35H2,1-3H3/t36-,37-,38-,39?,40?,41?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?/m1/s1 |
| InChI Key | WTOXTEMRVXJIRF-SCTFKLTNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C56H100O21 |
| Molecular Weight | 1109.40 g/mol |
| Exact Mass | 1108.67571019 g/mol |
| Topological Polar Surface Area (TPSA) | 316.00 Ų |
| XlogP | 7.80 |
| (3R,14R,25R)-9,10,11,20,21,22,31,32,33-nonahydroxy-3,14-di(nonyl)-25-undecyl-2,6,13,17,24,28,34,35,36-nonaoxatetracyclo[28.3.1.18,12.119,23]hexatriacontane-5,16,27-trione |
| (3R,14R,25R)-9,10,11,20,21,22,31,32,33-nonahydroxy-3,14-di(nonyl)-25-undecyl-2,6,13,17,24,28,34,35,36-nonaoxatetracyclo(28.3.1.18,12.119,23)hexatriacontane-5,16,27-trione |
| RefChem:114311 |
| SCHEMBL29885201 |
| CHEBI:211516 |
| 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 | 96.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.70% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.42% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.24% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.67% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.05% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.37% | 92.08% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.67% | 90.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.49% | 97.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.72% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.19% | 92.86% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.83% | 80.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.73% | 95.89% |
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 | 139588330 |
| LOTUS | LTS0094094 |
| wikiData | Q105312681 |