Structure Database (LMSD)

Common Name
Pallidiflorin
Systematic Name
5-Hydroxy-4'-methoxyisoflavone
Synonyms
LM ID
LMPK12050154
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YCUNGEJJOMKCGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-11-7-5-10(6-8-11)12-9-20-14-4-2-3-13(17)15(14)16(12)18/h2-9,17H,1H3
SMILES (Click to copy)
C1C=C(O)C2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIA9ANS0001
PubChem CID
5320382

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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