griseofulvin

Identification (Source:EPA,EU)

ID 457
Name griseofulvin
CAS 126-07-8
IUPAC
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
CIPAC
EPA Code
Formula C17H17ClO6
SMILES Clc(c(c([H])c1OC([H])([H])[H])OC([H])([H])[H])c2c1C([C@]3(C(=C([H])C(C([H])([H])[C@@]3([H])C([H])([H])[H])=O)OC([H])([H])[H])O2)=O
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification antibiotic fungicides

Properties (Source:PubChem)

Molecular Weight 352.76628
Physical State
AlogP 2.495
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 329.2
Polar Surface Area 71.06

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 526(5,7,11,46) Details
microtubule associated proteins 329(4,4,4,9) Details
VCAM 1 328(4,4,4,8) Details
ferrochelatase 456(3,8,14,36) Details
keratin (protein family or complex) 401(3,4,17,66) Details
keratin 18 244(2,3,6,39) Details
calcitonin 100(1,1,3,10) Details
keratin 8 98(1,1,1,18) Details
calmodulin 90(1,1,1,10) Details
interferon (protein family or complex) 90(1,1,2,5) Details
PPAR alpha 87(1,1,1,7) Details
albumin 86(1,1,1,6) Details
P glycoproteins 84(1,1,1,4) Details
Z protein 82(1,1,1,2) Details
PEPT1 82(1,1,1,2) Details
IL 1 alpha 81(1,1,1,1) Details
MMS 81(1,1,1,1) Details
prothrombin 81(0,2,5,6) Details
cytokeratin 108(0,1,9,38) Details
demethylase 51(0,1,4,6) Details
CYP3A4 43(0,1,2,8) Details
cytochrome P 450 reductase 37(0,1,2,2) Details
gamma glutamyl transferase 37(0,1,2,2) Details
epidermal growth factor receptor 36(0,1,1,6) Details
protein is 34(0,1,1,4) Details
glutathione S transferase 33(0,1,1,3) Details
Cytochrome c oxidase (protein family or complex) 32(0,1,1,2) Details
tissue transglutaminase 32(0,1,1,2) Details
Aldehyde dehydrogenases (protein family or complex) 32(0,1,1,2) Details
brains 32(0,1,1,2) Details
DD2 31(0,1,1,1) Details
IFNalpha 31(0,1,1,1) Details
hemopexin 31(0,1,1,1) Details
G protein 31(0,1,1,1) Details
protoporphyrinogen oxidase 31(0,1,1,1) Details
statins 31(0,1,1,1) Details
ubiquitin 24(0,0,2,14) Details
GITA 19(0,0,3,4) Details
casein 16(0,0,2,6) Details
alpha tubulin 15(0,0,1,10) Details
intercellular adhesion molecule 1 14(0,0,2,4) Details
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