8-C-alpha-L-Arabinopyranosylapigenin

Details

• Internal ID: cbddbfdd-33f5-4fc4-b03c-abb12f0803a9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
• SMILES (Canonical): C1C(C(C(C(O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
• SMILES (Isomeric): C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
• InChI: InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)14-6-12(24)15-10(22)5-11(23)16(19(15)29-14)20-18(27)17(26)13(25)7-28-20/h1-6,13,17-18,20-23,25-27H,7H2/t13-,17-,18+,20-/m0/s1
• InChI Key: YCCJEBDPVUMZGE-NTCOEUGSSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈O₉
• Molecular Weight: 402.40 g/mol
• Exact Mass: 402.09508215 g/mol
• Topological Polar Surface Area (TPSA): 157.00 Ų
• XlogP: 0.30

Synonyms

• DTXSID801301756
• 8-C-alpha-L-Arabinopyranosylapigenin
• BDBM50046970
• 38642-55-6

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	98.92%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.65%	98.95%
CHEMBL308	P06493	Cyclin-dependent kinase 1	96.25%	91.73%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	96.23%	89.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.02%	89.00%
CHEMBL3038469	P24941	CDK2/Cyclin A	91.74%	91.38%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.44%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.62%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.19%	90.71%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	89.19%	85.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.28%	99.15%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.06%	97.09%
CHEMBL301	P24941	Cyclin-dependent kinase 2	85.46%	91.23%
CHEMBL242	Q92731	Estrogen receptor beta	83.29%	98.35%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.76%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.50%	94.45%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.08%	91.71%
CHEMBL1951	P21397	Monoamine oxidase A	81.97%	91.49%
CHEMBL3194	P02766	Transthyretin	80.77%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.01%	86.33%

Plants that contains it

• Scoparia dulcis

Cross-Links

• PubChem: 118707634
• LOTUS: LTS0096658
• wikiData: Q105346204