Structure Database (LMSD)

Common Name
Isoflavone skeleton
Systematic Name
Synonyms
LM ID
LMPK12050000
Status
Active



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GOMNOOKGLZYEJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
SMILES (Click to copy)
C1C=C2OC=C(C3=CC=CC=C3)C(=O)C2=CC=1

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 194.74
Topological Polar Surface Area 30.21
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.36
Molar Refractivity 68.03

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Created at
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Updated at
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