(2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenanthren-2-yl]oxyoxane-3,4,5-triol
| Internal ID | 541c7663-f385-46bc-b710-717d1881219f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenanthren-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C2C(=CC(=C1)OC3C(C(C(C(O3)CO)O)O)O)C=CC4=C2C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=C2C(=CC(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=CC4=C2C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O |
| InChI | InChI=1S/C27H32O13/c1-36-16-8-14(38-27-25(35)23(33)21(31)18(10-29)40-27)7-12-3-2-11-6-13(4-5-15(11)19(12)16)37-26-24(34)22(32)20(30)17(9-28)39-26/h2-8,17-18,20-35H,9-10H2,1H3/t17-,18+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1 |
| InChI Key | USDAEECLIDISNL-WIFGXNHISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O13 |
| Molecular Weight | 564.50 g/mol |
| Exact Mass | 564.18429107 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenanthren-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c08e0fa0-85d3-11ee-8e0d-2d918e1a1b75.jpg "2D Structure of (2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenanthren-2-yl]oxyoxane-3,4,5-triol")
| 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 | 98.30% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.49% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.12% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.66% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.25% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.51% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.31% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.22% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.01% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.53% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.74% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.63% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.72% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.46% | 94.45% |
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.
| Bletilla striata |
| PubChem | 162933388 |
| LOTUS | LTS0275597 |
| wikiData | Q105278141 |