Compound	Benzaldehyde
NPACT-Id	NPACT00314
IUPAC	benzoic acid
Synonyms	Benzenecarbonal; Benzoic aldehyde; Phenylmethanal; Benzenecarboxaldehyde; Benzenemethylal; Benzene carboxaldehyde; Benzoyl hydride; Benzene carbaldehyde; benzanoaldehyde; Benzene methylal; Phenylmethanone; Phenylformaldehyde; Benzoic acid aldehyde; Phenylmethanal benzenecarboxaldehyde
PubChem Id	240
Class	Simple aromatic natural products
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	HUMNYLRZRPPJDN-UHFFFAOYSA-N
InChi	1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
SMILES	O=Cc1ccccc1
SMART	[H]C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.	100-52-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C032175
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, IS Chemical Technology, MP Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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