Structure Database (LMSD)

OH OH O OH O O
Common Name
Laurifolin (flavonoid)
Systematic Name
Synonyms
LM ID
LMPK12110421
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
ASCNCUCRYYUACO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-20(2)17(24)7-12-16(26-20)9-14(23)18-13(22)8-15(25-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C(O)CC=1C1OC(C3C=CC(O)=CC=3)CC(=O)C=1C(O)=C2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
186779
METABOLOMICS ID
FL3FAANP0002
PubChem CID
44257868

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 317.58
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.45
Molar Refractivity 93.97

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Updated at
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