Compound	Jacaranone
NPACT-Id	NPACT00687
IUPAC	methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Synonyms	methyl(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate;Jacaramome
PubChem Id	73307
Class	Simple aromatic natural products
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	WJZSKNRPRWCLLK-UHFFFAOYSA-N
InChi	1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
SMILES	O[C@]1(CC(=O)OC)C=CC(=O)C=C1
SMART	[H]O[C@@]1(C([H])=C([H])C(=O)C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H]
CAS No.	60263-07-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C013077
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Ambinter, ChemFrog, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase