Naringenin 7-O-beta-D-glucuronide

Details

Top
Internal ID a60d9922-74bc-4078-9fe7-0a0b53e58ae3
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides
IUPAC Name 3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
SMILES (Canonical) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O
SMILES (Isomeric) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O
InChI InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)
InChI Key BDCRTIDKZGEVEN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C21H20O11
Molecular Weight 448.40 g/mol
Exact Mass 448.10056145 g/mol
Topological Polar Surface Area (TPSA) 183.00 Ų
XlogP 0.80

Synonyms

Top
158196-34-0
Naringenin 7-O-glucuronide
Naringenin 7-O-beta-D-glucuronide
Naringenin-7-O-.beta.-D-Glucuronide
FT-0672654

2D Structure

Top
2D Structure of Naringenin 7-O-beta-D-glucuronide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 99.07% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.99% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.98% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.82% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.52% 97.09%
CHEMBL2581 P07339 Cathepsin D 90.42% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.46% 99.15%
CHEMBL3194 P02766 Transthyretin 89.29% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.68% 99.23%
CHEMBL4208 P20618 Proteasome component C5 88.51% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.20% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.43% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.87% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.70% 99.17%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 84.41% 95.64%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.21% 90.71%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.72% 91.71%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 80.27% 95.78%
CHEMBL3401 O75469 Pregnane X receptor 80.07% 94.73%

Plants that contains it

Top
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.
Centaurea urvillei
Garcinia prainiana

Cross-Links

Top
PubChem 71772041
LOTUS LTS0093320
wikiData Q104923860