Gnetifolin K

Details

• Internal ID: 404af177-34d4-49f6-b900-0e11cd77bf54
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-2-methoxyphenoxy]oxane-3,4,5-triol
• InChI: InChI=1S/C27H34O14/c1-37-17-8-12(4-5-16(17)39-27-25(36)23(34)21(32)19(11-29)41-27)2-3-13-6-14(30)9-15(7-13)38-26-24(35)22(33)20(31)18(10-28)40-26/h2-9,18-36H,10-11H2,1H3/b3-2+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
• InChI Key: SKQIOEZYEYGYEH-KFPNGALKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₄O₁₄
• Molecular Weight: 582.50 g/mol
• Exact Mass: 582.19485575 g/mol
• Topological Polar Surface Area (TPSA): 228.00 Ų
• XlogP: -0.50

Synonyms

• 193806-40-5
• GnetifolinK
• MEGxp0_001013
• ACon1_001330
• AKOS040735455
• NCGC00180621-01
• BRD-K95708926-001-01-8

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	97.63%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	97.14%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.85%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.27%	86.33%
CHEMBL3194	P02766	Transthyretin	91.83%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	91.43%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.64%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.85%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.89%	99.17%
CHEMBL2581	P07339	Cathepsin D	86.29%	98.95%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.22%	89.62%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.17%	86.92%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.09%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.29%	92.94%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.46%	95.89%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.92%	97.14%
CHEMBL4208	P20618	Proteasome component C5	80.66%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.09%	97.09%

Plants that contains it

• Gnetum gnemon

Cross-Links

• PubChem: 23955882
• LOTUS: LTS0070387
• wikiData: Q105254989