6'-Feruloylnodakenin

Details

• Internal ID: ed412f92-a94a-47e0-9141-87bddce85c04
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C30H32O12/c1-30(2,23-12-17-11-16-6-9-25(33)40-19(16)13-20(17)39-23)42-29-28(36)27(35)26(34)22(41-29)14-38-24(32)8-5-15-4-7-18(31)21(10-15)37-3/h4-11,13,22-23,26-29,31,34-36H,12,14H2,1-3H3/b8-5+/t22-,23-,26-,27+,28-,29+/m1/s1
• InChI Key: AIKVOZSRVVMWGS-UEXLCRCOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₃₂O₁₂
• Molecular Weight: 584.60 g/mol
• Exact Mass: 584.18937645 g/mol
• Topological Polar Surface Area (TPSA): 170.00 Ų
• XlogP: 2.00

Synonyms

• 131623-14-8
• [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-((2R)-7-oxo-2,3-dihydrofuro(3,2-g)chromen-2-yl)propan-2-yloxy)oxan-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• RefChem:103642
• FORBESOSIDE
• 6'-O-trans-feruloylnodakenin
• 6-O-trans-Feruloylnodakenin
• orb1680276
• HY-N11435
• AKOS040763493
• DA-49928
• E87165
• 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 6'-ester with 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(2,3-g)(1)benzopyran-7-one, (R-(E))-

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	99.62%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.23%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.95%	96.09%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	93.80%	89.62%
CHEMBL3401	O75469	Pregnane X receptor	92.05%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.00%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.43%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.20%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.01%	96.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.84%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.84%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.12%	97.09%
CHEMBL2535	P11166	Glucose transporter	86.63%	98.75%
CHEMBL1951	P21397	Monoamine oxidase A	85.95%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.90%	94.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.81%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.48%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.08%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.05%	90.71%
CHEMBL4829	O00763	Acetyl-CoA carboxylase 2	83.72%	98.00%
CHEMBL3714130	P46095	G-protein coupled receptor 6	83.48%	97.36%
CHEMBL5957	P21589	5'-nucleotidase	82.96%	97.78%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.54%	96.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.12%	99.23%
CHEMBL220	P22303	Acetylcholinesterase	81.89%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.38%	92.62%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	80.66%	80.78%

Plants that contains it

• Hansenia forbesii

Cross-Links

• PubChem: 6439317
• LOTUS: LTS0097332
• wikiData: Q104912838