Structure Database (LMSD)

Common Name
6-Chloroapigenin
Systematic Name
5,7,4'-Trihydroxy-6-chloroflavone
Synonyms
LM ID
LMPK12110430
Formula
C15H9O5Cl
Exact Mass
Calculate m/z
304.013853
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FPZXJLZOPYXNPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H9ClO5/c16-14-10(19)6-12-13(15(14)20)9(18)5-11(21-12)7-1-3-8(17)4-2-7/h1-6,17,19-20H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1Cl

Other Databases

CHEBI ID
184952
METABOLOMICS ID
FL3FAANSH001
PubChem CID
23266570

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 236.32
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 78.03

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Created at
-
Updated at
13th Dec 2023