Glucoside,6-dimethoxyphenyl, D

Details

• Internal ID: 1a36d346-3660-48ce-abe7-1b34a076adf2
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: 2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
• SMILES (Canonical): COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
• SMILES (Isomeric): COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)/C=C/CO
• InChI: InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+
• InChI Key: QJVXKWHHAMZTBY-ONEGZZNKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₄O₉
• Molecular Weight: 372.40 g/mol
• Exact Mass: 372.14203234 g/mol
• Topological Polar Surface Area (TPSA): 138.00 Ų
• XlogP: -1.30

Synonyms

• Glucoside,6-dimethoxyphenyl, D
• .beta.-D-Glucopyranoside,6-dimethoxyphenyl
• (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol

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	97.07%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.42%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.99%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.89%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.32%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	88.43%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.57%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.15%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.32%	86.92%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.20%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.08%	89.62%

Plants that contains it

• Conioselinum anthriscoides
• Elettaria cardamomum
• Eleutherococcus senticosus
• Helogyne hutchisonii
• Houttuynia cordata
• Leonurus japonicus
• Ligusticum officinale
• Litsea cubeba
• Picradeniopsis schaffneri
• Piper cubeba
• Stevia gilliesii
• Thymus quinquecostatus
• Thymus vulgaris
• Zanthoxylum bungeanum
• Zanthoxylum schinifolium

Cross-Links

• PubChem: 5885030
• NPASS: NPC135257
• LOTUS: LTS0045545
• wikiData: Q105222928