6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-2,3,4,5-tetrahydroxyhexanal
Internal ID | 920223ff-2d98-40a0-9027-580fff556b6e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
IUPAC Name | 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-2,3,4,5-tetrahydroxyhexanal |
SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OCC(C(C(C(C=O)O)O)O)O |
SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OCC(C(C(C(C=O)O)O)O)O |
InChI | InChI=1S/C21H22O10/c22-8-15(26)20(28)21(29)16(27)9-30-12-3-1-10(2-4-12)17-7-14(25)19-13(24)5-11(23)6-18(19)31-17/h1-6,8,15-17,20-21,23-24,26-29H,7,9H2/t15?,16?,17-,20?,21?/m0/s1 |
InChI Key | PCZSYPUPCOCVGU-UXQWGUDWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O10 |
Molecular Weight | 434.40 g/mol |
Exact Mass | 434.12129689 g/mol |
Topological Polar Surface Area (TPSA) | 174.00 Ų |
XlogP | -0.30 |
There are no found synonyms. |
![2D Structure of 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-2,3,4,5-tetrahydroxyhexanal 2D Structure of 6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-2,3,4,5-tetrahydroxyhexanal](https://plantaedb.com/storage/docs/compounds/2023/11/6-4-2s-57-dihydroxy-4-oxo-23-dihydrochromen-2-ylphenoxy-2345-tetrahydroxyhexanal.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 | 99.25% | 91.11% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 98.75% | 96.12% |
CHEMBL4208 | P20618 | Proteasome component C5 | 97.00% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.97% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.64% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.19% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.15% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 91.97% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.34% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.07% | 94.73% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.35% | 92.68% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.37% | 95.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.73% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.37% | 94.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.78% | 86.92% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.53% | 90.71% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.41% | 97.53% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.04% | 80.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.00% | 94.80% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.97% | 92.62% |
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.
Borago officinalis |
PubChem | 163082399 |
LOTUS | LTS0181970 |
wikiData | Q105206249 |