Structure Database (LMSD)

Common Name
Leiocarpin
Systematic Name
Synonyms
LM ID
LMPK12070046
Formula
C21H18O5
Exact Mass
Calculate m/z
350.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PAAJONLTKBLVPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O5/c1-21(2)6-5-11-15(26-21)4-3-12-19(11)22-9-14-13-7-17-18(24-10-23-17)8-16(13)25-20(12)14/h3-8,14,20H,9-10H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OCC3C4=CC5OCOC=5C=C4OC3C=1C=C2

Other Databases

METABOLOMICS ID
FLID1CNP0002
PubChem CID
14608889

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 6
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 301.37
Topological Polar Surface Area 56.50
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.78
Molar Refractivity 95.36

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Updated at
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