(2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide
| Internal ID | 90684279-d579-4441-bb09-ad5edee67763 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | (2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H60N2O11/c1-9-11-13-21-33-42(6,7)32(47)25-43(53,56-33)29(10-2)40(51)44-23-17-16-19-27(4)38(54-8)28(5)39-37(50)36(49)31(55-39)20-15-12-14-18-26(3)35(48)34-30(46)22-24-45-41(34)52/h9,11-22,24,28-29,31-33,36-39,47,49-50,53H,10,23,25H2,1-8H3,(H,44,51)(H2,45,46,52)/b11-9-,14-12+,17-16+,20-15+,21-13+,26-18+,27-19+/t28-,29-,31-,32+,33+,36+,37+,38-,39+,43+/m1/s1 |
| InChI Key | RMIMJJPXFGIRDL-AYMSFKFDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H60N2O11 |
| Molecular Weight | 780.90 g/mol |
| Exact Mass | 780.41971073 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide](https://plantaedb.com/storage/docs/compounds/2023/11/844841c0-857e-11ee-95d7-533d8bd14c0c.jpg "2D Structure of (2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.01% | 96.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 96.82% | 92.88% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.45% | 83.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.49% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.22% | 85.30% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.70% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.08% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.70% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.10% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.86% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.88% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.82% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.30% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.16% | 90.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.50% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.17% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.70% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.49% | 90.08% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.32% | 91.24% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.94% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.57% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.79% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.75% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.15% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.49% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.53% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.39% | 97.28% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.35% | 100.00% |
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 | 163113103 |
| LOTUS | LTS0069750 |
| wikiData | Q105240789 |