Structure Database (LMSD)

Common Name
Linderachalcone
Systematic Name
Synonyms
LM ID
LMPK12120240
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]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AFJBDWHCOLAFQN-LZNDSBFYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-15(2)18-11-9-16(3)13-19(18)23-21(27)14-22(28)24(25(23)29)20(26)12-10-17-7-5-4-6-8-17/h4-8,10,12-15,18-19,27-29H,9,11H2,1-3H3/b12-10+/t18-,19+/m1/s1
SMILES (Click to copy)
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C([C@@H]2[C@@H](C(C)C)CCC(C)=C2)C(O)=CC=1O

Other Databases

CHEBI ID
197229
METABOLOMICS ID
FL1CA9NR0001
PubChem CID
42607599

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.80
Molar Refractivity 115.30

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Updated at
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