Structure Database (LMSD)

Systematic Name
5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Synonyms
LM ID
LMPK12140579
Formula
C21H22O6
Exact Mass
Calculate m/z
370.14164
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)
QTHZKQQTHZVUHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O6/c1-11(2)4-6-13-19(26-3)10-17(25)20-16(24)9-18(27-21(13)20)12-5-7-14(22)15(23)8-12/h4-5,7-8,10,18,22-23,25H,6,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FCCNI0002
PubChem CID
42608077

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 344.60
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.03
Molar Refractivity 99.88

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Updated at
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