Structure Database (LMSD)

Common Name
5-O-Methylleridol
Systematic Name
(S)-5,7-Dimethoxy-6-(hydroxymethyl)-8-methylflavanone
Synonyms
LM ID
LMPK12140200
Formula
C19H20O5
Exact Mass
Calculate m/z
328.131075
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)
ZHZVKKUTTLMHKX-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C19H20O5/c1-11-17(22-2)13(10-20)19(23-3)16-14(21)9-15(24-18(11)16)12-7-5-4-6-8-12/h4-8,15,20H,9-10H2,1-3H3/t15-/m0/s1
SMILES (Click to copy)
C1(CO)C(OC)=C(C)C2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1OC

Other Databases

CHEBI ID
184881
METABOLOMICS ID
FL2FA9NM0014
PubChem CID
101630663

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 303.85
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.21
Molar Refractivity 88.96

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Created at
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Updated at
10th Feb 2026