Structure Database (LMSD)

Common Name
Apigenin
Systematic Name
Synonyms
LM ID
LMPK12110005
Status
Active
Exact Mass
Calculate m/z
270.052825
Formula
C15H10O5
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
KZNIFHPLKGYRTM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C=C3)=CC(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Apigenin
KEGG ID
C01477
HMDB ID
HMDB0002124
CHEBI ID
18388
PubChem CID
5280443
Cayman ID
10010275

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

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Updated at
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