Structure Database (LMSD)

Common Name
Dihydrokanakugiol
Systematic Name
Synonyms
LM ID
LMPK12120563
Formula
C19H22O6
Exact Mass
Calculate m/z
346.14164
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)
NTAJFHWMQLZQMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H22O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-9,21H,10-11H2,1-4H3
SMILES (Click to copy)
C1(OC)C(OC)=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1OC

Other Databases

CHEBI ID
178406
METABOLOMICS ID
FL1DG9NS0002
PubChem CID
189521

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 325.00
Topological Polar Surface Area 74.22
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.24
Molar Refractivity 93.41

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Updated at
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