Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8-C-geranylflavanone
Synonyms
LM ID
LMPK12140170
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
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)
SPOAVFOKSZPUQS-SFQUDFHCSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-21(27)24-22(28)15-23(29-25(19)24)18-10-5-4-6-11-18/h4-6,8,10-12,14,23,26-27H,7,9,13,15H2,1-3H3/b17-12+
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/CC/C=C(/C)\C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
185844
METABOLOMICS ID
FL2FA9NI0007
PubChem CID
11143678

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 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.04
Molar Refractivity 114.66

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Updated at
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