Structure Database (LMSD)

Common Name
O-Methylpongamol
Systematic Name
Synonyms
LM ID
LMPK12120374
Formula
C19H16O4
Exact Mass
Calculate m/z
308.10486
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)
AZSIHEYWWIVBPP-PDGQHHTCSA-N
InChi (Click to copy)
InChI=1S/C19H16O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-12H,1-2H3/b18-12-
SMILES (Click to copy)
C12OC=CC1=C(OC)C(C(=O)/C=C(\OC)/C1C=CC=CC=1)=CC=2

Other Databases

CHEBI ID
169771
METABOLOMICS ID
FL1CHYNF0004
PubChem CID
5319759

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 278.88
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.31
Molar Refractivity 88.52

Admin

Created at
-
Updated at
-