Structure Database (LMSD)

Common Name
4'-O-Methyldavidigenin
Systematic Name
Synonyms
LM ID
LMPK12120453
Formula
C16H16O4
Exact Mass
Calculate m/z
272.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
MEZSKKITJGNMJJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H16O4/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10,17,19H,4,9H2,1H3
SMILES (Click to copy)
C1(OC)C=CC(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1

Other Databases

CHEBI ID
180157
METABOLOMICS ID
FL1D1ANS0002
PubChem CID
2762958

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 255.52
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.92
Molar Refractivity 75.42

Admin

Created at
-
Updated at
-