Compound	5-O-caffeoylshikimic acid
NPACT-Id	NPACT01099
IUPAC	-
Synonyms	(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid;1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-;
PubChem Id	5281762
Class	Organic chemical
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	QMPHZIPNNJOWQI-GDDAOPKQSA-N
InChi	1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
SMILES	O([C@H]1[C@H](O)[C@H](O)C=C(C1)C(=O)O)C(=O)/C=C/c1cc(O)c(O)cc1
SMART	[H]OC(=O)C1=C([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C([H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C1([H])[H]
CAS No.	73263-62-4
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C036792
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, MolPort,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase