Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone
Synonyms
LM ID
LMPK12140294
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)
DBAAXPIMQWCLHT-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-11(2)4-9-15-19(24)12(3)21-18(20(15)25)16(23)10-17(26-21)13-5-7-14(22)8-6-13/h4-8,17,22,24-25H,9-10H2,1-3H3/t17-/m0/s1
SMILES (Click to copy)
C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FAANI0020
PubChem CID
491718

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 335.81
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.33
Molar Refractivity 98.07

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Updated at
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