Structure Database (LMSD)

Common Name
Cauliflorin A
Systematic Name
2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Synonyms
  • Pongol methyl ether
LM ID
LMPK12110012
Formula
C18H12O4
Exact Mass
Calculate m/z
292.07356
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)
OHKLPDQPGIVELF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C=CC=3)OC=1C1C=COC=1C=C2

Other Databases

CHEBI ID
196228
METABOLOMICS ID
FL3F19NF0002
PubChem CID
636768

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 238.32
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.11
Molar Refractivity 84.35

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