Griseofulvin

Representations & DB's id
ChEBI:	CHEBI:27779
ChEMBL:	CHEMBL562
PubChem:	441140
IUPAC:	(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Standard InChI:	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
Standard InChI Key:	DDUHZTYCFQRHIY-RBHXEPJQSA-N
SMILES:	COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

Molecular propeties
AlogP:	2.81
Hydrogen bonds acceptors:	6
Hydrogen bonds donors:	0
Rotatable bonds:	3
Number of rings:	3
Molecular Weight:	352.07
Topological polar surface area:	71.1
Number of aromatic rings:	1
Fsp3:	0.412
Number of carbons:	18

Plant sources

Part of plant	Plant name	Ref.
Plant	Sophora pachycarpa

Activity Type	Activity Value	Target Name	UniProt ID
IC50	50000 nM	Cytochrome P450 51	Q16850
Potency	19952.6 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	14125.4 nM	Survival motor neuron protein	Q16637
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	37650.5 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	19952.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	31622.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	23109.3 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	20587.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	6513.1 nM	Geminin	O75496
Potency	21136 nM	Geminin	O75496
Potency	23710.1 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	22387.2 nM	Geminin	O75496
Potency	33498.3 nM	Geminin	O75496
Potency	25118.9 nM	Ataxin-2	Q99700
Potency	1188.3 nM	Nuclear receptor ROR-gamma	P51449