Compound	Alpha-Ionone
NPACT-Id	NPACT00236
IUPAC	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms	Iraldeine;IONONE;Irisone;beta-lonone;Ionone,alpha-;beta-lonone(natural);alpha-Ionone(natural);Lonone(mixed isomers);.alpha.-Cyclocitrylideneacetone
PubChem Id	5282108
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	UZFLPKAIBPNNCA-BQYQJAHWSA-N
InChi	1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
SMILES	O=C(/C=C/[C@H]1C(CCC=C1C)(C)C)C
SMART	[H]C(=C([H])[C@]1([H])C(=C([H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=O)C([H])([H])[H]
CAS No.	6901-97-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C011879
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, IS Chemical Technology, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry),
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase