Structure Database (LMSD)

O O OH OH O
Common Name
Laxichalcone
Systematic Name
Synonyms
LM ID
LMPK12120260
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
OYKNIXGSTSXINU-JXMROGBWSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-24(2)13-11-17-21(28)20(19(27)10-7-15-5-8-16(26)9-6-15)23-18(22(17)29-24)12-14-25(3,4)30-23/h5-14,26,28H,1-4H3/b10-7+
SMILES (Click to copy)
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=C2C=CC(C)(C)OC=12

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CAANP0002
PubChem CID
11502310

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 387.37
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.94
Molar Refractivity 118.08

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Updated at
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