Structure Database (LMSD)

Systematic Name
5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
Synonyms
LM ID
LMPK12140565
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
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)
PMQBKFKEJGCJIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-12(2)4-9-15-18(25-3)11-19-20(21(15)24)16(23)10-17(26-19)13-5-7-14(22)8-6-13/h4-8,11,17,22,24H,9-10H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FCANI0001
PubChem CID
24175341

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 335.81
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.32
Molar Refractivity 98.22

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Updated at
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