Structure Database (LMSD)

Common Name
Licochalcone D
Systematic Name
Synonyms
LM ID
LMPK12120425
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
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)
RETRVWFVEFCGOK-RMKNXTFCSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-13(2)4-5-15-12-16(8-10-18(15)23)17(22)9-6-14-7-11-19(24)20(25)21(14)26-3/h4,6-12,23-25H,5H2,1-3H3/b9-6+
SMILES (Click to copy)
C1=CC(O)=C(O)C(OC)=C1/C=C/C(=O)C1C=C(C/C=C(\C)/C)C(O)=CC=1

Other Databases

METABOLOMICS ID
FL1CRTNI0003
PubChem CID
10473311

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 345.53
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.22
Molar Refractivity 100.93

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Updated at
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