Gnetifolin E

Details

• Internal ID: 70f3e511-b377-413a-bef1-be95cbae9e0b
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• InChI: InChI=1S/C21H24O9/c1-28-16-8-11(2-3-12-6-13(23)9-14(24)7-12)4-5-15(16)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
• InChI Key: CVPYYBCSHSCXJQ-DXKBKAGUSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₄O₉
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.14203234 g/mol
• Topological Polar Surface Area (TPSA): 149.00 Ų
• XlogP: 0.50

Synonyms

• 140671-07-4
• GnetifolinE
• GOB D
• MEGxp0_001014
• CHEMBL1083413
• SCHEMBL20280296
• ACon1_002049
• HY-N9867
• AKOS040762902
• NCGC00179882-01
• CS-0204015
• BRD-K40694077-001-01-3
• (2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	97.22%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.93%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.58%	96.09%
CHEMBL3194	P02766	Transthyretin	93.31%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.81%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.12%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.24%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	89.84%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	89.54%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.74%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.46%	89.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.71%	92.94%
CHEMBL2581	P07339	Cathepsin D	82.94%	98.95%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.05%	86.92%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.19%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.14%	95.89%

Plants that contains it

• Gnetum africanum
• Gnetum gnemon
• Gnetum montanum
• Gnetum parvifolium

Cross-Links

• PubChem: 13783629
• LOTUS: LTS0182006
• wikiData: Q104667801