Compound	Prunectin
NPACT-Id	NPACT01299
IUPAC	-
Synonyms	5,4'-dihydroxy-7-methoxyisoflavone;5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone;Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI);
PubChem Id	5386259
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| All \|
Properties	Physical Elemental Topological
InChi Key	DQNLRFRBAWCJHQ-UHFFFAOYSA-N
InChi	1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
SMILES	o1c2c(c(=O)c(c3ccc(OC)cc3)c1)c(O)cc(OC)c2
SMART	[#6]OC1=CC=C(C=C1)C1=COC2=CC(O[#6])=CC(O)=C2C1=O
CAS No.	552-59-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemFrog, IS Chemical Technology, R&D Chemicals, 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