Structure Database (LMSD)

Common Name
Griseofulvin
Systematic Name
Synonyms
LM ID
LMPK13060001
Status
Active
Exact Mass
Calculate m/z
352.071368
Formula
C17H17ClO6
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Dibenzofurans, griseofulvins, dibenzopyrans and xanthones [PK1306]

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

Other Databases

Wikipedia
Griseofulvin
KEGG ID
C06686
HMDB ID
HMDB0014544
CHEBI ID
27779
PubChem CID
441140
Cayman ID
19461

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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Updated at
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