Structure Database (LMSD)

OH HO O OH O
Common Name
Licodione
Systematic Name
Synonyms
LM ID
LMPK12120396
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
QIEKMEBGIJSGGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2
SMILES (Click to copy)
C1(O)=CC=C(C(=O)CC(=O)C2C=CC(O)=CC=2)C(O)=C1

References

Taxonomy Information

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

Other Databases

KEGG ID
C01592
CHEBI ID
18131
METABOLOMICS ID
FL1CHYNS0002
PubChem CID
439528

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 244.37
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.26
Molar Refractivity 71.16

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Updated at
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