Compound	Squalene
NPACT-Id	NPACT00954
IUPAC	(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Synonyms	trans-Squalene; Spinacene; Supraene
PubChem Id	638072
Class	Terpenoids
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YYGNTYWPHWGJRM-AAJYLUCBSA-N
InChi	1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES	C(C/C=C(/CCC=C(C)C)C)/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C
SMART	[H]C(=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	111-02-4
Structure Download
Cross Refrence in other databases
	Super Natural	000111024
	CTD	D013185
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemExper Chemical Directory, IS Chemical Technology, R&D Chemicals, TCI (Tokyo Chemical Industry),
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase