Structure Database (LMSD)

Systematic Name
2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
Synonyms
LM ID
LMPK12120553
Formula
C21H24O5
Exact Mass
Calculate m/z
356.162375
Status
Curated
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)
KESCRKVZLPNJGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H24O5/c1-13(2)9-11-15-18(23)17(20(25)21(26-3)19(15)24)16(22)12-10-14-7-5-4-6-8-14/h4-9,23-25H,10-12H2,1-3H3
SMILES (Click to copy)
C1C=CC=CC=1CCC(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=C(OC)C=1O

Other Databases

CHEBI ID
196317
METABOLOMICS ID
FL1DE9NI0001
PubChem CID
42607711

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 348.17
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.14
Molar Refractivity 100.22

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Updated at
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