Structure Database (LMSD)

Systematic Name
2',4',6'-Trihydroxy-3'-prenyldihydrochalcone
Synonyms
LM ID
LMPK12120482
Formula
C20H22O4
Exact Mass
Calculate m/z
326.15181
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)
PFRVXBMLBGFRRU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O4/c1-13(2)8-10-15-17(22)12-18(23)19(20(15)24)16(21)11-9-14-6-4-3-5-7-14/h3-8,12,22-24H,9-11H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C/C=C(\C)/C

Other Databases

HMDB ID
HMDB0124930
CHEBI ID
178218
METABOLOMICS ID
FL1DA9NI0001
PubChem CID
42607676

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 322.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.13
Molar Refractivity 93.66

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Updated at
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