Compound	Linalool
NPACT-Id	NPACT00714
IUPAC	3,7-dimethylocta-1,6-dien-3-ol
Synonyms	3,7-Dimethylocta-1,6-dien-3-ol;allo-Ocimenol;beta-Linalool;LINALYL ALCOHOL;p-Linalool;Linalol
PubChem Id	6549
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	AKT1 \| CDKN1A \| CDKN1B \| CDKN1C \| CDKN2B \| CSN2 \| EDN1 \| FN1 \| GADD45A \| HSPA4 \| HSPB2 \| MAPK8 \| MDM2 \| MYC \| TP53 \| WSB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	CDOSHBSSFJOMGT-UHFFFAOYSA-N
InChi	1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
SMILES	O[C@](CCC=C(C)C)(C)C=C
SMART	[H]O[C@@](C([H])=C(/[H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.	78-70-6
Structure Download
Cross Refrence in other databases
	Super Natural	001180718
	CTD	C018584
	HIT	C0305
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec,
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