Structure Database (LMSD)

OH O O O
Systematic Name
7-Prenyloxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
Synonyms
LM ID
LMPK12140013
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
ZVDGUVHERNKBSI-WYMLVPIESA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-17(2)13-15-28-22-11-10-19-21(26)16-23(18-8-6-5-7-9-18)29-24(19)20(22)12-14-25(3,4)27/h5-14,23,27H,15-16H2,1-4H3/b14-12+
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(/C=C/C(O)(C)C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F19NI0004
PubChem CID
42607799

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.09
Molar Refractivity 116.46

Admin

Created at
-
Updated at
-