Structure Database (LMSD)

Common Name
6-Prenylnaringenin
Systematic Name
Synonyms
LM ID
LMPK12140277
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
YHWNASRGLKJRJJ-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C

Other Databases

KEGG ID
C09832
CHEBI ID
27566
METABOLOMICS ID
FL2FAANI0003
PubChem CID
155094
Cayman ID
35138
GuidePharm ID
12585

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 93.33

Admin

Created at
-
Updated at
9th Jun 2022