Structure Database (LMSD)

Common Name
4'-Hydroxyisoderricin
Systematic Name
Synonyms
  • 4'-Hydroxy-7-methoxy-8-prenylflavanone
LM ID
LMPK12140045
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
IIIACKGGDCVYPY-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-13(2)4-9-17-19(24-3)11-10-16-18(23)12-20(25-21(16)17)14-5-7-15(22)8-6-14/h4-8,10-11,20,22H,9,12H2,1-3H3/t20-/m0/s1
SMILES (Click to copy)
C1(OC)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1

Other Databases

METABOLOMICS ID
FL2F1ANI0012
PubChem CID
511789

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 327.02
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.62
Molar Refractivity 96.55

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Updated at
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