Structure Database (LMSD)

Common Name
Afzelechin
Systematic Name
[2R,3S,(+)]-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
Synonyms
LM ID
LMPK12020035
Formula
C15H14O5
Exact Mass
Calculate m/z
274.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Corymbia calophylla (#34324)
Magnoliopsida (#3398)
The Chemistry of Eucalypt Kinos. III. (+)-Afzelechin, Pyrogallol, and (+)-Catechin from Eucalyptus calophyllaKino,
Aust J Chem, 1960

String Representations

InChiKey (Click to copy)
RSYUFYQTACJFML-DZGCQCFKSA-N
InChi (Click to copy)
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@@]([H])(O)CC2=C(O)C=1

Other Databases

Wikipedia
Afzelechin
KEGG ID
C09320
CHEBI ID
2507
METABOLOMICS ID
FL63AANS0001
PubChem CID
442154

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 237.29
Topological Polar Surface Area 92.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.13
Molar Refractivity 71.47

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Created at
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Updated at
30th Apr 2025