Structure Database (LMSD)

Systematic Name
5-Methoxy-7-prenyloxyflavanone
Synonyms
LM ID
LMPK12140173
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
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)
OQDMTHUDYVQCEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-14(2)9-10-24-16-11-19(23-3)21-17(22)13-18(25-20(21)12-16)15-7-5-4-6-8-15/h4-9,11-12,18H,10,13H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL2FA9NI0010
PubChem CID
42607872

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 327.02
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.03
Molar Refractivity 97.17

Admin

Created at
-
Updated at
-