Compound	Beta-Caryophyllene
NPACT-Id	NPACT00321
IUPAC	-
Synonyms	BETA-CARYOPHYLLENE;trans-Caryophyllene;Caryophyllene;(-)-trans-Caryophyllene;.beta.-(E)-Caryophyllene;L-Caryophyllene;beta-Caryophyllen;(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
PubChem Id	5281515
Class	Terpenoids
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	NPNUFJAVOOONJE-GFUGXAQUSA-N
InChi	1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
SMILES	C1([C@H]2[C@H](C1)C(=C)CCC=C(CC2)C)(C)C
SMART	[H]C([H])=C1/C([H])([H])C([H])([H])C([H])=C(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.	87-44-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C024714
	HIT	C0040
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, 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