[(2R,3R,4S,5S,6R)-3,4-diacetyloxy-5-hydroxy-6-[4-hydroxy-2-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-methylphenoxy]oxan-2-yl]methyl acetate
| Internal ID | 199f2da7-92a7-4ca4-a631-f2a45f278614 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3R,4S,5S,6R)-3,4-diacetyloxy-5-hydroxy-6-[4-hydroxy-2-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-methylphenoxy]oxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H48O11/c1-19(2)14-27(38)15-21(4)11-9-10-20(3)12-13-26-17-28(39)22(5)16-29(26)44-34-31(40)33(43-25(8)37)32(42-24(7)36)30(45-34)18-41-23(6)35/h11-12,14,16-17,27,30-34,38-40H,9-10,13,15,18H2,1-8H3/b20-12+,21-11+/t27-,30-,31+,32-,33+,34+/m1/s1 |
| InChI Key | HFBNVWQEORGUAR-ASMPQTMTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H48O11 |
| Molecular Weight | 632.70 g/mol |
| Exact Mass | 632.31966234 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5S,6R)-3,4-diacetyloxy-5-hydroxy-6-[4-hydroxy-2-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-methylphenoxy]oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6bd0e810-856f-11ee-81cc-addb97e04c59.jpg "2D Structure of [(2R,3R,4S,5S,6R)-3,4-diacetyloxy-5-hydroxy-6-[4-hydroxy-2-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-methylphenoxy]oxan-2-yl]methyl acetate")
| 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 | 98.59% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.91% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.99% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.64% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.39% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.35% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.99% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.84% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.22% | 96.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.61% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.31% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.12% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.49% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.86% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.58% | 85.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.24% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.83% | 94.80% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.39% | 92.08% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.12% | 97.36% |
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 | 100969441 |
| LOTUS | LTS0088617 |
| wikiData | Q105027222 |