Chrysoeriol-7-O-beta-D-glucoside

Details

• Internal ID: 88591bfd-8dda-491d-b6a9-87a2b9975a30
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
• InChI: InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3
• InChI Key: GAMYVSCDDLXAQW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₂O₁₁
• Molecular Weight: 462.40 g/mol
• Exact Mass: 462.11621151 g/mol
• Topological Polar Surface Area (TPSA): 175.00 Ų
• XlogP: 0.80

Synonyms

• AKOS004110689
• FT-0775516

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	99.15%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.39%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.20%	85.14%
CHEMBL2581	P07339	Cathepsin D	94.91%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.16%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.12%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.57%	96.09%
CHEMBL220	P22303	Acetylcholinesterase	91.72%	94.45%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	91.50%	86.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.05%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.79%	95.56%
CHEMBL3194	P02766	Transthyretin	88.71%	90.71%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	88.17%	96.21%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.33%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	86.77%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.08%	97.09%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	84.97%	95.78%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.93%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.44%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.97%	90.71%
CHEMBL3714130	P46095	G-protein coupled receptor 6	82.95%	97.36%
CHEMBL1907	P15144	Aminopeptidase N	81.74%	93.31%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.39%	96.00%

Plants that contains it

• Apium graveolens
• Arnica longifolia
• Centaurea deflexa
• Centaurea sphaerocephala
• Cleome amblyocarpa
• Daphne feddei
• Dioscorea oppositifolia
• Gutierrezia grandis
• Itoa orientalis
• Narthecium asiaticum
• Narthecium ossifragum
• Phlomis aurea
• Phlomis brunneogaleata
• Phlomis integrifolia
• Pseudodictamnus acetabulosus
• Saussurea medusa
• Setaria italica
• Sideritis lanata
• Sorbus torminalis
• Stachys chrysantha
• Turnera diffusa
• Vepris heterophylla
• Veratrum grandiflorum

Cross-Links

• PubChem: 13871877
• LOTUS: LTS0085390
• wikiData: Q104400938