Compound	beta-caryophyllene oxide
NPACT-Id	NPACT01145
IUPAC	-
Synonyms	(-)-Epoxycaryophyllene;(-)-Caryophyllene oxide;(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane;
PubChem Id	1742210
Class	Terpenoids
In-vitro anticancer activity	8 cancer cell lines
In-Vivo anticancer activity	No
Targets	AKT1 \| CASP3 \| CCND1 \| CDKN1A \| COX-2 \| MAPK1 \| MAPK8 \| MTOR \| PARP1 \| PIK3CA \| RPS6KB1 \| TP53 \| VEGFA \| All \|
Properties	Physical Elemental Topological
InChi Key	NVEQFIOZRFFVFW-RGCMKSIDSA-N
InChi	1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
SMILES	O1[C@]2([C@H]1CCC(=C)[C@@H]1[C@H](C(C1)(C)C)CC2)C
SMART	[H]C([H])=C1C([H])([H])C([H])([H])[C@@]2([H])O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.	1139-30-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C515179
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase