Compound	Isoacteoside
NPACT-Id	NPACT00669
IUPAC	[(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl(E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms	-
PubChem Id	6438553
Class	Carbohydrates
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	BYCHRKNAQYPJPR-DAZOONRXSA-N
InChi	1S/C29H36O15/c1-3-40-28-29(39,15-6-8-17(31)19(33)11-15)26(44-27-25(38)24(37)22(35)13(2)42-27)23(36)20(43-28)12-41-21(34)9-5-14-4-7-16(30)18(32)10-14/h4-11,13,20,22-28,30-33,35-39H,3,12H2,1-2H3/b9-5+/t13-,20+,22-,23+,24+,25+,26-,27-,28+,29+/m0/s1
SMILES	O([C@@H]1[C@@](O)([C@@H](O[C@@H]([C@H]1O)COC(=O)/C=C/c1cc(O)c(O)cc1)OCC)c1cc(O)c(O)cc1)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
SMART	[H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(OC([H])([H])C([H])([H])[H])[C@@](O[H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]2([H])O[H])C([H])=C1[H]
CAS No.	61303-13-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C064683
	HIT	-
	NCI-60 GI₅₀ data	61303-13-7
Suppliers	ABI Chem, ChemMol,
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