Structure Database (LMSD)
Common Name
Griseofulvin
Systematic Name
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Synonyms
LM ID
LMPK13060001
Formula
C17H17O6Cl
Exact Mass
Calculate m/z
352.071368
Status
Active
3D model of Griseofulvin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DDUHZTYCFQRHIY-RBHXEPJQSA-N
InChi (Click to copy)
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
SMILES (Click to copy)
[C@]12([C@H](C)CC(=O)C=C1OC)OC1=C(C(OC)=CC(OC)=C1Cl)C2=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Penicillium griseofulvum
(#5078)
Eurotiomycetes
(#147545)
Griseofulvin, a new oral antibiotic for the treatment of fungous infections of the skin.,
Can Med Assoc J, 1959
Can Med Assoc J, 1959
Pubmed ID:
13671398
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
306.79
Topological Polar Surface Area
73.13
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
3.10
Molar Refractivity
86.64
Admin
Created at
-
Updated at
12th Dec 2023