Compound	Beta-Ionone
NPACT-Id	NPACT00324
IUPAC	2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
Synonyms	beta-Cyclocitrylideneacetone; 9-apo-beta-caroten-9-one
PubChem Id	638014
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BAX \| BCL2 \| CASP3 \| CCND1 \| CCNE1 \| CDK2 \| CycA \| CYCS \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	PSQYTAPXSHCGMF-BQYQJAHWSA-N
InChi	1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
SMILES	O=C(/C=C/C1=C(CCCC1(C)C)C)C
SMART	[H]C(=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C([H])([H])[H])C(=O)C([H])([H])[H]
CAS No.	14901-07-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C008157
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, Chemical Synthesis Database, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, Sigma-Aldrich, Vitas-M Laboratory, ZINC,
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