Structure Database (LMSD)

Common Name
Neoplathymenin
Systematic Name
(E)-2',3,4,4',5'-Pentahydroxychalcone
Synonyms
LM ID
LMPK12120143
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
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/
Plathymenia reticulata (#148722)
Magnoliopsida (#3398)
The Chemistry of extractives from hardwoods. Part XI. The isolation of a diterpene ester (methyl vinhaticoate), and of 6 : 7 : 3′ : 4′-tetrahydroxyflavanone (plathymenin), and 2 : 4 : 5 : 3′ : 4′-pentahydroxychalkone (neoplathymenin), from Plathymenia reticulata,
J Chem Soc, 1953

String Representations

InChiKey (Click to copy)
AMYJBIWKBSTSMQ-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-10(9-6-14(20)15(21)7-12(9)18)3-1-8-2-4-11(17)13(19)5-8/h1-7,17-21H/b3-1+
SMILES (Click to copy)
C1(O)=C(O)C=C(C(=O)/C=C/C2C=CC(O)=C(O)C=2)C(O)=C1

Other Databases

CHEBI ID
168738
METABOLOMICS ID
FL1C2CNS0001
PubChem CID
12313213

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 253.16
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 2.11
Molar Refractivity 74.57

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Created at
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Updated at
12th Jun 2026