Structure Database (LMSD)

O OH O O O
Common Name
Flowerine
Systematic Name
5-Hydroxy-7,4'-dimethoxy-8-prenylflavanone
Synonyms
LM ID
LMPK12140573
Formula
C22H24O5
Exact Mass
Calculate m/z
368.162375
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QTEBTSUWUVNMHC-IBGZPJMESA-N
InChi (Click to copy)
InChI=1S/C22H24O5/c1-13(2)5-10-16-20(26-4)12-18(24)21-17(23)11-19(27-22(16)21)14-6-8-15(25-3)9-7-14/h5-9,12,19,24H,10-11H2,1-4H3/t19-/m0/s1
SMILES (Click to copy)
C1(OC)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
185698
METABOLOMICS ID
FL2FCBNI0001
PubChem CID
42608075

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 353.11
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.62
Molar Refractivity 103.10

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Created at
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Updated at
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