(2S)-5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Internal ID | 58c5c0e4-7700-45c4-a4e0-8c4dc9cc6d54 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | (2S)-5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)OC |
SMILES (Isomeric) | COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC |
InChI | InChI=1S/C23H26O11/c1-30-15-8-14-17(19(27)22(15)31-2)12(25)7-13(33-14)10-3-5-11(6-4-10)32-23-21(29)20(28)18(26)16(9-24)34-23/h3-6,8,13,16,18,20-21,23-24,26-29H,7,9H2,1-2H3/t13-,16+,18+,20-,21+,23+/m0/s1 |
InChI Key | MHSKJIBCGCAGQG-DYWWVFLNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O11 |
Molecular Weight | 478.40 g/mol |
Exact Mass | 478.14751164 g/mol |
Topological Polar Surface Area (TPSA) | 164.00 Ų |
XlogP | 0.90 |
There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one 2D Structure of (2S)-5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9a765010-8691-11ee-be26-1b6a6d04ea62.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 | 99.53% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.97% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.05% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.60% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.86% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.58% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 91.11% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.70% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.42% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.41% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.21% | 95.89% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.77% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.35% | 96.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.72% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.46% | 86.92% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.25% | 92.62% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.08% | 95.89% |
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.
Scoparia dulcis |
PubChem | 163086243 |
LOTUS | LTS0098599 |
wikiData | Q104667460 |