luteolin 5-O-glucuronide

Details

Top
Internal ID fbb9bf2a-30e1-4a0d-a4d5-9fa2dac24f09
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides
IUPAC Name (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES (Canonical) C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
SMILES (Isomeric) C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
InChI InChI=1S/C21H18O12/c22-8-4-13-15(11(25)6-12(31-13)7-1-2-9(23)10(24)3-7)14(5-8)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChI Key FPKBUYIIWUFWOS-ZFORQUDYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C21H18O12
Molecular Weight 462.40 g/mol
Exact Mass 462.07982601 g/mol
Topological Polar Surface Area (TPSA) 203.00 Ų
XlogP 0.20

Synonyms

Top
Luteolin 5-glucuronide
CHEBI:75727
luteolin 5-O-beta-D-glucoronopyranoside
luteolin 5-O-beta-D-glucopyranosiduronic acid
Q27145503
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl beta-D-glucopyranosiduronic acid

2D Structure

Top
2D Structure of luteolin 5-O-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 99.15% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.14% 91.49%
CHEMBL3194 P02766 Transthyretin 97.53% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.16% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.77% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.86% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.77% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.00% 86.33%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 89.84% 95.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.58% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.42% 94.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.25% 91.71%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.69% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.93% 99.23%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 82.91% 83.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.60% 94.45%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 81.97% 95.64%
CHEMBL3401 O75469 Pregnane X receptor 81.19% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 80.03% 91.19%

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.
Dumortiera hirsuta

Cross-Links

Top
PubChem 72193663
LOTUS LTS0085087
wikiData Q27145503