Compound	Tuberculatin
NPACT-Id	NPACT00995
IUPAC	9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms	-
PubChem Id	10391676
Class	Lignans
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	XIARCTMJGANPJU-AYRHNUGRSA-N
InChi	1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)15-8-33-24(29)21(15)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3/t23-,25-,26+/m0/s1
SMILES	O1[C@@H](Oc2c3c(c(c4c2cc(OC)c(OC)c4)c2cc4OCOc4cc2)C(=O)OC3)[C@H](O)[C@](O)(C1)CO
SMART	[H]OC([H])([H])[C@@]1(O[H])C([H])([H])O[C@@]([H])(OC2=C3C(C(=O)OC3([H])[H])=C(C3=C([H])C4=C(OC([H])([H])O4)C([H])=C3[H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C23)[C@]1([H])O[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C103139
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase