Structure Database (LMSD)

O OH O
Common Name
Lonchocarpin
Systematic Name
Synonyms
LM ID
LMPK12120012
Formula
C20H18O3
Exact Mass
Calculate m/z
306.125595
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)
UEXPKLJRGIWQBF-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C(C(=O)/C=C/C1C=CC=CC=1)=CC=2

References

Taxonomy Information

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

Other Databases

CHEBI ID
187208
METABOLOMICS ID
FL1C19NP0002
PubChem CID
6283743

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 298.29
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.76
Molar Refractivity 92.17

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Updated at
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