Compound	Amygdalin
NPACT-Id	NPACT00260
IUPAC	6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
Synonyms	amygdalin;D-Amygdalin ;(R)-Amygdalin ;D(-)-Mandelonitrile-beta-D-gentiobioside ;D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside
PubChem Id	656516
Class	Carbohydrates
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2 \| All \|
Properties	Physical Elemental Topological
InChi Key	XUCIJNAGGSZNQT-JHSLDZJXSA-N
InChi	1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H](c1ccccc1)C#N)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
SMART	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]([H])(C#N)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	29883-15-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	D000678
	HIT	-
	NCI-60 GI₅₀ data	29883-15-6
Suppliers	ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, ZINC,
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