Structure Database (LMSD)

Common Name
Leridol
Systematic Name
(S)-5-Hydroxy-6- (hydroxymethyl)-7-methoxy-8-methylflavanone
Synonyms
  • 6-hydroxymethyl-7-O-methylpinocembrin
LM ID
LMPK12140199
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Petiveria alliacea (#46142)
Magnoliopsida (#3398)
6-C-formyl and 6-C-hydroxymethyl flavanones from Petiveria alliacea,
Phytochemistry, 1992

String Representations

InChiKey (Click to copy)
NYMCJKZZZIZEPS-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,14,19,21H,8-9H2,1-2H3/t14-/m0/s1
SMILES (Click to copy)
C1(CO)C(OC)=C(C)C2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
185602
METABOLOMICS ID
FL2FA9NM0013
PubChem CID
101630662

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.91
Molar Refractivity 84.08

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Created at
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Updated at
12th Jun 2026