Structure Database (LMSD)

Common Name
Pinocembrin
Systematic Name
Synonyms
LM ID
LMPK12140214
Formula
Exact Mass
Calculate m/z
256.07356
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
URFCJEUYXNAHFI-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC=CC=3)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 225.86
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.80
Molar Refractivity 68.53

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Created at
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Updated at
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