(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-5-propan-2-ylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | 6d2dffba-8830-4183-9b83-30c831e983f4 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-5-propan-2-ylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC1=C(C=C(C=C1)C(C)C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | CC1=C(C=C(C=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C22H34O11/c1-9(2)11-5-4-10(3)12(6-11)30-22-20(18(28)16(26)14(8-24)32-22)33-21-19(29)17(27)15(25)13(7-23)31-21/h4-6,9,13-29H,7-8H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1 |
InChI Key | CANZVHSCRTTZLU-FWAYYJKISA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H34O11 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.21011190 g/mol |
Topological Polar Surface Area (TPSA) | 179.00 Ų |
XlogP | -0.50 |
There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-5-propan-2-ylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 2D Structure of (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-5-propan-2-ylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/1bd67150-846b-11ee-9b38-9f9c0ac7304b.jpg)
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 | 96.46% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.17% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 92.27% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.88% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.06% | 96.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.76% | 90.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.86% | 89.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.30% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.95% | 95.89% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.81% | 96.21% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.91% | 93.18% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.24% | 93.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.11% | 94.00% |
CHEMBL220 | P22303 | Acetylcholinesterase | 82.09% | 94.45% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.71% | 95.89% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.66% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.62% | 95.56% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.07% | 93.65% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.06% | 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.
To see more specific details click the taxa you are interested in.
Origanum syriacum |
PubChem | 101203408 |
LOTUS | LTS0093817 |
wikiData | Q104951665 |