Compound	Diarctigenin
NPACT-Id	NPACT00501
IUPAC	(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-[5-[[(3R,4R)-4-[(3,D8514-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]methyl]oxolan-2-one
Synonyms	-
PubChem Id	16215736
Class	Lignans
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	IL1B \| IL6 \| NFKB1 \| NOS2 \| PTGER3 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	XYMRYKOVQDOJFH-VZNYXHRGSA-N
InChi	1S/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1
SMILES	O1C[C@@H]([C@@H](Cc2cc(c3cc(C[C@@H]4[C@H](COC4=O)Cc4cc(OC)c(OC)cc4)cc(OC)c3O)c(O)c(OC)c2)C1=O)Cc1cc(OC)c(OC)cc1
SMART	[#6]OC1=C(O[#6])C=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(O[#6])=C(O)C(=C2)C2=CC(C[C@@H]3[C@@H](CC4=CC(O[#6])=C(O[#6])C=C4)COC3=O)=CC(O[#6])=C2O)C=C1
CAS No.	160433-41-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C532887
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase