(2R,3S)-7-hydroxy-2,3,9-trimethyl-3-[(Z)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-2H-furo[3,2-c]chromen-4-one
| Internal ID | bc685bfb-9c50-4e31-bbe7-ed5a1a0b4f70 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S)-7-hydroxy-2,3,9-trimethyl-3-[(Z)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-2H-furo[3,2-c]chromen-4-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C3=C(C=C(C=C3C)O)OC2=O)(C)CCC=C(C)COC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@](C2=C(O1)C3=C(C=C(C=C3C)O)OC2=O)(C)CC/C=C(/C)\CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C26H34O10/c1-12(11-33-25-22(31)21(30)20(29)17(10-27)36-25)6-5-7-26(4)14(3)34-23-18-13(2)8-15(28)9-16(18)35-24(32)19(23)26/h6,8-9,14,17,20-22,25,27-31H,5,7,10-11H2,1-4H3/b12-6-/t14-,17-,20-,21+,22-,25-,26-/m1/s1 |
| InChI Key | YBRRTVXOAIWTFH-RRRZFOOESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O10 |
| Molecular Weight | 506.50 g/mol |
| Exact Mass | 506.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-7-hydroxy-2,3,9-trimethyl-3-[(Z)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-2H-furo[3,2-c]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/67c4c170-8651-11ee-9406-3598d3b32291.jpg "2D Structure of (2R,3S)-7-hydroxy-2,3,9-trimethyl-3-[(Z)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-2H-furo[3,2-c]chromen-4-one")
| 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 | 99.46% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.57% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.36% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.14% | 94.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.02% | 83.57% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.99% | 93.18% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.49% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.33% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.93% | 82.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.82% | 96.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.39% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.30% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.68% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.50% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.47% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.65% | 93.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.52% | 93.10% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.18% | 86.92% |
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.
| Chaptalia nutans |
| PubChem | 163188488 |
| LOTUS | LTS0075704 |
| wikiData | Q105346014 |