Structure Database (LMSD)

O HO O O
Common Name
Alpinetin
Systematic Name
Synonyms
LM ID
LMPK12140215
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
QQQCWVDPMPFUGF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FA9NS0002
PubChem CID
4053302

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 243.16
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.11
Molar Refractivity 73.42

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Updated at
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