Compound	Cineole
NPACT-Id	NPACT00421
IUPAC	(E)-3-phenylprop-2-enal
Synonyms	Eucalyptol;cineole;1,8-Cineole;Cajeputol;1,8-Cineol;1,8-Epoxy-p-menthane;Eucalyptole;Eucapur;Terpan;Zineol;p-Cineole;1,8-Oxido-p-menthane;Cucalyptol;Zedoary oil;1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane;Eukalyptol;Soledum
PubChem Id	2758
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChi	1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES	O1[C@@]2(CC[C@H](C1(C)C)CC2)C
SMART	[H]C([H])([H])[C@@]1(O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.	470-82-6
Structure Download
Cross Refrence in other databases
	Super Natural	000470677
	CTD	C010087
	HIT	C0316
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, ZINC,
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