Structure Database (LMSD)

O O OH O
Common Name
4-Methoxylonchocarpin
Systematic Name
Synonyms
LM ID
LMPK12120079
Formula
C21H20O4
Exact Mass
Calculate m/z
336.13616
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)
XEVCTBKORYCFCZ-UXBLZVDNSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-13,23H,1-3H3/b10-6+
SMILES (Click to copy)
C1=CC(OC)=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
180251
METABOLOMICS ID
FL1C1ANP0004
PubChem CID
10472189

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 324.38
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.77
Molar Refractivity 98.72

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Updated at
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