5-hydroxy-7-methoxy-2-[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Details

• Internal ID: c79cd36d-31fb-40ab-81e0-c12c53a21ee0
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides
• IUPAC Name: 5-hydroxy-7-methoxy-2-[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC4C(C(C(C(O4)CO)O)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• InChI: InChI=1S/C23H24O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-8,18,20-25,27-29H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
• InChI Key: SWRMQURCOAJYDL-DODNOZFWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₁₁
• Molecular Weight: 476.40 g/mol
• Exact Mass: 476.13186158 g/mol
• Topological Polar Surface Area (TPSA): 164.00 Ų
• XlogP: 1.20

Synonyms

There are no found synonyms.

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.94%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.09%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.28%	94.00%
CHEMBL2581	P07339	Cathepsin D	95.27%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.43%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	93.08%	86.92%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.08%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.49%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.59%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.49%	86.33%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	90.09%	96.21%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	88.67%	95.78%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.45%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.03%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	85.87%	94.73%
CHEMBL3194	P02766	Transthyretin	85.86%	90.71%
CHEMBL3714130	P46095	G-protein coupled receptor 6	85.37%	97.36%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.86%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.38%	95.89%

Plants that contains it

• Suregada multiflora

Cross-Links

• PubChem: 162929807
• LOTUS: LTS0076746
• wikiData: Q105262841