Compound	isochaihulactone
NPACT-Id	NPACT00475
IUPAC	(3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
Synonyms	4-Benzo[1,3]dioxol-5-ylmethyl-3-(3,4,5-trimethoxy-benzylidene)-dihydro-furan-2-one;(3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
PubChem Id	641765
Class	Lignans
In-vitro anticancer activity	11 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	CJLVKDPRUXBTJQ-BESIOYJRSA-N
InChi	1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7-/t15-/m0/s1
SMILES	O1C[C@H](Cc2cc3OCOc3cc2)/C(=C/c2cc(OC)c(OC)c(OC)c2)/C1=O
SMART	[#6]OC1=CC(C=C2[C@@H](CC3=CC4=C(OCO4)C=C3)COC2=O)=CC(O[#6])=C1O[#6]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C512868
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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