Structure Database (LMSD)

HO O OH O O
Common Name
4'-O-Geranylnaringenin
Systematic Name
5,7-Dihydroxy-4'-geranyloxyflavanone
Synonyms
LM ID
LMPK12140289
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
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)
XHCAXPZUMUUNKN-GZTJUZNOSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)11-12-29-20-9-7-18(8-10-20)23-15-22(28)25-21(27)13-19(26)14-24(25)30-23/h5,7-11,13-14,23,26-27H,4,6,12,15H2,1-3H3/b17-11+
SMILES (Click to copy)
C1C(O)=CC2OC(C3C=CC(OC/C=C(\C)/CC/C=C(\C)/C)=CC=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAANI0015
PubChem CID
6479094

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 402.37
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.16
Molar Refractivity 116.94

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Updated at
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