Compound	Citral
NPACT-Id	NPACT01175
IUPAC	-
Synonyms	trans-Citral;Lemsyn GB;geranal;geranialdehyde;Citral a;3,7-Dimethyl-2,6-octadienal
PubChem Id	638011
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	WTEVQBCEXWBHNA-JXMROGBWSA-N
InChi	1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILES	O=C/C=C(/CCC=C(C)C)C
SMART	[H]C(=O)C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.	5392-40-5
Structure Download
Cross Refrence in other databases
	Super Natural	000141275
	CTD	C007076
	HIT	C0191
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemExper Chemical Directory, Chemical Synthesis Database, ChemMol, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, R&D Chemicals, Sigma-Aldrich, Vitas-M Laboratory, 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