Compound	Licochalcone A
NPACT-Id	NPACT00710
IUPAC	(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms	3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone;2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-,(E)-;LICOAGROCHACONE A;Licochalcone-A, Synthetic
PubChem Id	5318998
Class	Flavonoid
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BAX \| BCL2 \| CASP3 \| COX-2 \| CTNNBIP1 \| CycA \| CycB \| MDM2 \| MMP9 \| NFKBIA \| NOS2 \| PARP1 \| RB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	KAZSKMJFUPEHHW-DHZHZOJOSA-N
InChi	1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
SMILES	Oc1c(C(C)(C)C=C)cc(c(OC)c1)/C=C/C(=O)c1ccc(O)cc1
SMART	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])=C(/[H])C1=C([H])C(=C(O[H])C([H])=C1OC([H])([H])[H])[C@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.	58749-22-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C070840
	HIT	C0135
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, Calbiochem, ChemMol, Therapeutic Targets Database, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase