Structure Database (LMSD)

Common Name
Pseudosindorin
Systematic Name
3,5,2',4'-Tetrahydroxychalcone
Synonyms
LM ID
LMPK12120018
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Pseudosindora palustris (#327912)
Magnoliopsida (#3398)
Studies on Pitch Troubles caused by Pulping and Bleaching of Tropical Woods. Pt. VI. Phenolic Wood Extractives Responsible for the Yellow Specks,
Holzforschung, 1980

String Representations

InChiKey (Click to copy)
ZSMOFGFLBCKTKA-DAFODLJHSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-10-2-3-13(15(20)8-10)14(19)4-1-9-5-11(17)7-12(18)6-9/h1-8,16-18,20H/b4-1+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=C(O)C=C(O)C=2)C(O)=C1

Other Databases

CHEBI ID
196256
METABOLOMICS ID
FL1C19NS0003
PubChem CID
42607520

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 244.37
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.41
Molar Refractivity 72.91

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Created at
-
Updated at
23rd Jan 2026