IBD Research Resource Center

BioID	bio1846
Name	PUERARIN
ChEMBL ID	CHEMBL486386
Molecular Formula	C21H20O9
Molecular Weight	416.38
Molecular Weight (Monoisotopic)	416.1107
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar11
Target Name	Proto-oncogene c-RAF (c-RAF)
Synonyms	DAIDZEIN 8-C-GLUCOSIDE\|KAKONEIN\|NPI 031G\|NSC-380711\|PUERARIN\|PUERARIN 80 MM
Smiles	O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
Inchi	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
Inchi Key	HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Species	ACID
Targets	20.0
Bioactivities	43.0
Np Likeness Score	1.75
Records Key	['20', '9', '1', '13', 'puerarin', '11', '3', 'PUERARIN (KAKONEIN)', 'Puerarin (Kakonein)', 'PUERARIN', 'puerarin', 'Puerarin (Kakonein)', 'Puerarin (Kakonein)', 'Puerarin (Kakonein)', '5', 'SID85148721', 'Puerarin', 'Puerarin']
Records Name	['Puerarin', 'Puerarin', 'puerarin', 'Puerarin', 'puerarin', 'Puerarin', 'puerarin', 'PUERARIN (KAKONEIN)', 'Puerarin (Kakonein)', 'PUERARIN', 'Puerarin', 'Puerarin (Kakonein)', 'Puerarin (Kakonein)', 'Puerarin (Kakonein)', 'Puerarin', 'SID85148721', 'Puerarin', 'Puerarin']
Withdrawn Flag	False
Orphan	0