Structure Database (LMSD)

Common Name
Flowerone
Systematic Name
5,7,8,4'-Tetrahydroxy-3'-prenylflavanone
Synonyms
LM ID
LMPK12140666
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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)
WWUVLNPEWUTCEI-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-10(2)3-4-11-7-12(5-6-13(11)21)17-9-15(23)18-14(22)8-16(24)19(25)20(18)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1
SMILES (Click to copy)
C1(O)C(O)=C2O[C@H](C3C=C(C/C=C(\C)/C)C(O)=CC=3)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
186228
METABOLOMICS ID
FL2FFANI0001
PubChem CID
42608116

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 327.30
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.72
Molar Refractivity 94.99

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Updated at
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