Structure Database (LMSD)

Common Name
Praecanson A
Systematic Name
Synonyms
LM ID
LMPK12120392
Formula
C23H24O5
Exact Mass
Calculate m/z
380.162375
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CDFJITYOZNLONM-UYRXBGFRSA-N
InChi (Click to copy)
InChI=1S/C23H24O5/c1-23(2)12-11-16-18(28-23)14-20(26-4)21(22(16)27-5)19(25-3)13-17(24)15-9-7-6-8-10-15/h6-14H,1-5H3/b19-13-
SMILES (Click to copy)
C1(OC)=CC2OC(C)(C)C=CC=2C(OC)=C1/C(/OC)=C/C(=O)C1C=CC=CC=1

Other Databases

CHEBI ID
73782
METABOLOMICS ID
FL1CHYNP0008
PubChem CID
9999819

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 367.77
Topological Polar Surface Area 56.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.04
Molar Refractivity 109.56

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Updated at
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