Structure Database (LMSD)

Common Name
Pinocembrin 5,7-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12140217
Formula
C17H16O4
Exact Mass
Calculate m/z
284.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
IAFBOKYTDSDNHV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

CHEBI ID
110206
METABOLOMICS ID
FL2FA9NS0004
PubChem CID
378567

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 260.46
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.41
Molar Refractivity 78.30

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Updated at
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