Luteolin 7-sulfate

Details

• Internal ID: 3c79c8cf-9b53-4cdb-b51a-1fdd0de0e19f
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones
• IUPAC Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate
• SMILES (Canonical): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O
• InChI: InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
• InChI Key: NTLSJCCPWSJISD-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O₉S
• Molecular Weight: 366.30 g/mol
• Exact Mass: 366.00455307 g/mol
• Topological Polar Surface Area (TPSA): 159.00 Ų
• XlogP: 0.80

Synonyms

• 56857-57-9
• CHEMBL4749970
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hydrogen sulfate
• Luteolin 7-sulphate
• CHEBI:184349
• DTXSID701315982
• HY-N6901
• BDBM50559082
• LMPK12110734
• AKOS040740835
• MS-25851
• CS-0100513
• [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulate
• [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.56%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.82%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.31%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.89%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.81%	94.00%
CHEMBL3194	P02766	Transthyretin	93.49%	90.71%
CHEMBL2581	P07339	Cathepsin D	92.50%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.37%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	90.46%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.73%	94.45%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.55%	93.40%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.68%	86.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.49%	86.33%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.38%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.47%	99.23%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	80.82%	83.57%

Plants that contains it

• Fuchsia procumbens

Cross-Links

• PubChem: 14016780
• LOTUS: LTS0239934
• wikiData: Q104387669