Compound	Acumitin
NPACT-Id	NPACT01115
IUPAC	-
Synonyms	(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran;Benzofuran, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-, (2R-(2alpha,3beta,5(E)))-;
PubChem Id	10096070
Class	Flavonoid
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	NIFSYUFGZVWGGD-UHFFFAOYSA-N
InChi	1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2
SMILES	o1c2c(c(O)c(c(O)c2c(=O)c2c1cccc2)Cc1c(O)cccc1)C(=O)CCc1ccccc1
SMART	OC1=CC=CC=C1CC1=C(O)C2=C(OC3=CC=CC=C3C2=O)C(C(=O)CCC2=CC=CC=C2)=C1O
CAS No.	41744-39-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C077860
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase