Compound	Verbenone
NPACT-Id	NPACT01004
IUPAC	(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one
Synonyms	Verbenone,(d); (+)-Verbenone,(+)-, 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; Verbenone, (+)-; 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one; (1R-cis)-4,6-Trimethylbicyclo[3.1.1]hept-3-ene-2-one
PubChem Id	65724
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	DCSCXTJOXBUFGB-SFYZADRCSA-N
InChi	1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
SMILES	O=C1[C@H]2C([C@H](C2)C(=C1)C)(C)C
SMART	[H]C1=C(C([H])([H])[H])[C@@]2([H])C([H])([H])[C@@]([H])(C1=O)[C@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.	80-57-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C052875
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, ChemMol, 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