Structure Database (LMSD)

Systematic Name
(2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
Synonyms
LM ID
LMPK12140493
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Curated
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)
PCNCQAWYRGWMFH-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(18(27)10-19(16)28)22-12-21(30)23-20(29)11-17(26)14(24(23)31-22)8-7-13(2)3/h6-7,9-11,22,26-29H,1,8,12H2,2-5H3/t22-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(C(C=C)(C)C)C(O)=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FALNI0032
PubChem CID
10251761

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.19
Molar Refractivity 118.22

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Updated at
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