Compound	Isotaxiresinol
NPACT-Id	NPACT00684
IUPAC	4-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
Synonyms	-
PubChem Id	9841162
Class	Lignans
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	GQLVRVYXAHDDLB-PJFSTRORSA-N
InChi	1S/C19H22O6/c1-25-18-6-11-4-12(8-20)14(9-21)19(13(11)7-17(18)24)10-2-3-15(22)16(23)5-10/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14-,19-/m0/s1
SMILES	OC[C@H]1[C@@H](Cc2c([C@@H]1c1cc(O)c(O)cc1)cc(O)c(OC)c2)CO
SMART	[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[C@@]1([H])C2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]1([H])C([H])([H])O[H]
CAS No.	26194-57-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C508339
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	Ambinter, 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