5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Details

• Internal ID: 1c843479-5c54-4d12-882b-ce14a0b92b35
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides
• IUPAC Name: 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): CC1=C(C2=C(C(=C1OC)OC3C(C(C(C(O3)CO)O)O)O)OC(=CC2=O)C4=CC=C(C=C4)OC)O
• SMILES (Isomeric): CC1=C(C2=C(C(=C1OC)OC3C(C(C(C(O3)CO)O)O)O)OC(=CC2=O)C4=CC=C(C=C4)OC)O
• InChI: InChI=1S/C24H26O11/c1-10-17(27)16-13(26)8-14(11-4-6-12(31-2)7-5-11)33-22(16)23(21(10)32-3)35-24-20(30)19(29)18(28)15(9-25)34-24/h4-8,15,18-20,24-25,27-30H,9H2,1-3H3
• InChI Key: ZVXOUHMKSXHBJG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₆O₁₁
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.14751164 g/mol
• Topological Polar Surface Area (TPSA): 164.00 Ų
• XlogP: 1.50

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.22%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	98.04%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.07%	85.14%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	95.85%	83.57%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.61%	99.15%
CHEMBL2581	P07339	Cathepsin D	95.29%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.30%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.48%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	91.32%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.95%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	89.66%	94.73%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	88.83%	96.21%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.41%	97.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.97%	96.00%
CHEMBL1907	P15144	Aminopeptidase N	83.26%	93.31%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.52%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.93%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.92%	86.33%
CHEMBL220	P22303	Acetylcholinesterase	80.17%	94.45%

Plants that contains it

• Abies spectabilis

Cross-Links

• PubChem: 75311342
• LOTUS: LTS0097735
• wikiData: Q105384741