Structure Database (LMSD)

Common Name
Visnagin
Systematic Name
4-methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one
Synonyms
LM ID
LMPK13110003
Formula
C13H10O4
Exact Mass
Calculate m/z
230.05791
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Benzopyranoids [PK1311]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ammi visnaga (#1053409)
Magnoliopsida (#3398)
Khellin and Visnagin, Furanochromones from Ammi visnaga (L.) Lam., as Potential Bioherbicides.,
J Agric Food Chem, 2016
Pubmed ID: 27936681

String Representations

InChiKey (Click to copy)
NZVQLVGOZRELTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C)OC=1C=C1OC=CC1=C2OC

Other Databases

KEGG ID
C09049
CHEBI ID
10002
PubChem CID
6716
Cayman ID
34140
GuidePharm ID
433

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 183.00
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.76
Molar Refractivity 63.65

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Created at
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Updated at
1st Aug 2024