This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Juglanin

PubChem CID: 5318717

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Juglanin, 5041-67-8, Kaempferol 3-arabinofuranoside, Euglanin, 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Juglanin?, 3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Kaempferol 3-a-L-arabinofuranoside, 4H-1-Benzopyran-4-one, 3-(alpha-L-arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 3-((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, CHEMBL469440, SCHEMBL16618210, CHEBI:167534, HY-N3442, LMPK12111839, Kaempferol 3-I+--L-arabinofuranoside, CS-7981, Kaempferol 3-O-alpha-L-arabinofuranoside, kaempferol-3-o-alpha-l-arabinofuranoside, DA-54566, MS-27302, XJ161837, G14296, Q15720546, 3-(alpha-L-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-arabinofuranoside, 5,7,4'-Trihydroxyflavone 3-?-L-arabinofuranoside, Kaempferol 3-O-?-L-arabinofuranoside
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 166.0
Hydrogen Bond Donor Count 6.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCC1
Np Classifier Class Flavonols
Deep Smiles OC[C@@H]O[C@H][C@@H][C@H]5O))O))Occoccc6=O))cO)ccc6)O)))))))cccccc6))O
Heavy Atom Count 30.0
Classyfire Class Flavonoids
Description Isolated from walnuts (Juglans regia). Juglanin is found in many foods, some of which are nuts, common hazelnut, fennel, and sweet bay.
Scaffold Graph Node Level OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCO1
Classyfire Subclass Flavonoid glycosides
Isotope Atom Count 0.0
Molecular Complexity 672.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id P80457, n.a.
Iupac Name 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Prediction Hob 0.0
Class Flavonoids
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 1.3
Superclass Phenylpropanoids and polyketides
Subclass Flavonoid glycosides
Gsk 4 400 Rule False
Molecular Formula C20H18O10
Scaffold Graph Node Bond Level O=c1c(OC2CCCO2)c(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key POQICXMTUPVZMX-UXYNSRGZSA-N
Silicos It Class Soluble
Fcsp3 0.25
Logs -4.299
Rotatable Bond Count 4.0
Logd 0.909
Synonyms Kaempferol-3-O-alpha-L-arabinofuranoside, juglanin
Esol Class Soluble
Functional Groups CO, c=O, cO, cO[C@@H](C)OC, coc
Compound Name Juglanin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 418.09
Formal Charge 0.0
Monoisotopic Mass 418.09
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 418.3
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.036961466666667
Inchi InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20-/m0/s1
Smiles C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Flavonoid-3-O-glycosides
Np Classifier Superclass Flavonoids

Back to Browse   Back to Home