Structure Database (LMSD)

Common Name
Fisetinidol
Systematic Name
(2R)-2α- (3,4-Dihydroxyphenyl) -3,4-dihydro-2H-1-benzopyran-3β,7-diol
Synonyms
LM ID
LMPK12020013
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/
Acacia mearnsii (#139012)
Magnoliopsida (#3398)
Condensed tannins. 7. Isolation of (−)-7:3′:4′-trihydroxyflavan-3-ol [(−)-fisetinidol], a naturally occurring catechin from black-wattle heartwood,
Biochem J, 1961

String Representations

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

Other Databases

Wikipedia
Fisetinidol
KEGG ID
C09735
CHEBI ID
5066
METABOLOMICS ID
FL631CNS0001
PubChem CID
442397

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
18th May 2025