Radicicol

CAS	12772-57-5
Structure
Description	Radicicol is an inhibitor of Hsp90 with an IC50 value < 1 μM, and leads to proteasomal degradation.
Synonyms	Monorden
IUPAC Name	(4R,6R,8R,9Z,11E)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
Molecular Weight	364.8
Molecular Formula	C18H17ClO6
Canonical SMILES	CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI	InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
InChI Key	WYZWZEOGROVVHK-GTMNPGAYSA-N
Boiling Point	656.2±55.0 °C
Purity	95%+
Density	1.364±0.06 g/cm³
Complexity	588
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	364.071366
Heavy Atom Count	25
Isomeric SMILES	C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
Monoisotopic Mass	364.071366
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	96.4 Ų