Luteolin-7-o-glucuronide

Details

• Internal ID: 5e9ba951-89cc-4cd4-811c-ccba7857af3c
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides
• IUPAC Name: 6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES (Canonical): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
• InChI: InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)
• InChI Key: VSUOKLTVXQRUSG-UHFFFAOYSA-N
• Popularity: 21 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₈O₁₂
• Molecular Weight: 462.40 g/mol
• Exact Mass: 462.07982601 g/mol
• Topological Polar Surface Area (TPSA): 203.00 Ų
• XlogP: 0.80

Synonyms

• Luteolin-7-beta-D-glucuronide
• 6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• SCHEMBL24449203
• BCP29714
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl-|A-D-glucopyranosiduronic acid
• 3 inverted exclamation marka,4 inverted exclamation marka,5,7-Tetrahydroxy-7-|A-D-glucopyranuronoside flavone
• Luteolin-7-glucuronide;Luteolin 7-O-beta-D-glucuronopyranoside; Luteolin 7-O-beta-glucuronide;Luteolin 7-O-beta-glucuronopyranoside

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1951	P21397	Monoamine oxidase A	99.55%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.36%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.18%	89.00%
CHEMBL3194	P02766	Transthyretin	96.16%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.12%	99.15%
CHEMBL2581	P07339	Cathepsin D	92.44%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.00%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.03%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.24%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.05%	90.71%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	86.09%	95.78%
CHEMBL3401	O75469	Pregnane X receptor	85.47%	94.73%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	85.18%	91.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.51%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.83%	99.23%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	83.69%	83.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.66%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.84%	85.14%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	80.75%	95.64%
CHEMBL3714130	P46095	G-protein coupled receptor 6	80.62%	97.36%

Plants that contains it

• Acanthus ebracteatus
• Achillea collina
• Agrimonia eupatoria
• Chrysanthemum indicum
• Dumortiera hirsuta
• Gymnanthemum amygdalinum
• Inulanthera nuda
• Lactuca indica
• Lycopus asper
• Marrubium vulgare
• Medicago sativa
• Medicago truncatula
• Meehania fargesii
• Meehania urticifolia
• Monarda punctata
• Ocimum gratissimum
• Origanum vulgare
• Pedicularis longiflora
• Penstemon serrulatus
• Perilla frutescens
• Phagnalon rupestre
• Potentilla anserina
• Salvia fruticosa
• Salvia officinalis
• Scutellaria galericulata
• Scutellaria iskanderi
• Scutellaria phyllostachya
• Sonchus arvensis
• Sonchus erzincanicus
• Tanacetum parthenium
• Trifolium pannonicum
• Tripora divaricata
• Youngia japonica

Cross-Links

• PubChem: 13607752
• LOTUS: LTS0175049
• wikiData: Q104389857