Structure Database (LMSD)

Common Name
7-O-Prenylpinocembrin
Systematic Name
Synonyms
LM ID
LMPK12140178
Formula
C20H20O4
Exact Mass
Calculate m/z
324.13616
Status
Active
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/

String Representations

InChiKey (Click to copy)
WZSJHPLGMXDPQW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-13(2)8-9-23-15-10-16(21)20-17(22)12-18(24-19(20)11-15)14-6-4-3-5-7-14/h3-8,10-11,18,21H,9,12H2,1-2H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
186812
METABOLOMICS ID
FL2FA9NI0015
PubChem CID
21721815

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 309.72
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 92.28

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Updated at
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