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


Classification

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
Pubmed ID: 13671398

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

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

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Created at
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Updated at
12th Dec 2023