a a

Compound	Alpha-Curcumene
NPACT-Id	NPACT00233
IUPAC	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms	(R)-(-)-curcumene
PubChem Id	442360
Class	Terpenoids
In-vitro anticancer activtiy	2 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	CASP3 \| CASP7 \| CASP8 \| CASP9 \| All \|
Properties	Physical Elemental Topological
InChi Key	VMYXUZSZMNBRCN-CQSZACIVSA-N
InChi	1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1
SMILES	[C@@H](CCC=C(C)C)(c1ccc(cc1)C)C
SMART	[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	4176-17-4
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C086829
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	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