Compound	Catechin
NPACT-Id	NPACT00404
IUPAC	(4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms	(+)-catechin ;Cianidanol ;CATECHIN ;Catergen ;Cyanidanol ;D-Catechin ;Biocatechin ;(+)-Cyanidanol ;(+)-Cyanidan-3-ol ;Catechinic acid
PubChem Id	9064
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	COX-1 \| COX-2 \| NOS2 \| NQO1 \| All \|
Properties	Physical Elemental Topological
InChi Key	PFTAWBLQPZVEMU-DZGCQCFKSA-N
InChi	1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
SMILES	O1[C@@H]([C@@H](O)Cc2c1cc(O)cc2O)c1cc(O)c(O)cc1
SMART	[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[H])C2([H])[H])=C1[H]
CAS No.	154-23-4
Structure Download
Cross Refrence in other databases
	Super Natural	000154234
	CTD	D002392
	HIT	C0436
	NCI-60 GI₅₀ data	154-23-4
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemMol, Hangzhou APIChem Technology, MolPort, R&D Chemicals, TimTec, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase