Compound	Aucubin
NPACT-Id	NPACT00299
IUPAC	7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Synonyms	rhinanthin ;Azomycin, 2-Nitroimidazole ;1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside ;(1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
PubChem Id	91458
Class	Terpenoids
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	IL6 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	RJWJHRPNHPHBRN-FKVJWERZSA-N
InChi	1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
SMILES	O([C@@H]1OC=C[C@@H]2[C@H]1C(=C[C@H]2O)CO)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
SMART	[H]OC([H])([H])C1=C([H])[C@@]([H])(O[H])[C@]2([H])C([H])=C([H])O[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]12[H]
CAS No.	479-98-1
Structure Download
Cross Refrence in other databases
	Super Natural	000479981
	CTD	C006650
	HIT	C0260
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Ambinter, ChemMol, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase