Structure Database (LMSD)

Common Name
Dihydroflavokawain C
Systematic Name
4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120549
Formula
Exact Mass
Calculate m/z
302.115425
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VFHSXDLCCBWTTJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3
SMILES (Click to copy)
C1(OC)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(OC)C=1

Other Databases

HMDB ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 281.61
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.93
Molar Refractivity 81.97

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Updated at
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