Structure Database (LMSD)

Systematic Name
7,4'-Dihydroxy-8-prenylflavone
Synonyms
LM ID
LMPK12110033
Formula
C20H18O4
Exact Mass
Calculate m/z
322.12051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AJHGAKMPOPDVRT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-11,21-22H,8H2,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C(C/C=C(\C)/C)=C(O)C=C2

Other Databases

METABOLOMICS ID
FL3F1ANI0005
PubChem CID
16038118

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 296.18
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.28
Molar Refractivity 94.49

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