Compound	chicoric acid
NPACT-Id	NPACT01167
IUPAC	-
Synonyms	Dicaffeoyl-D-tartaric acid;(1S,2S)-1,2-Bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid;Butanedioic acid, 2,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2S,3S)-;
PubChem Id	5470299
Class	Lignans
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YDDGKXBLOXEEMN-QFZCZCNSSA-N
InChi	1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
SMILES	O([C@@H]([C@H](OC(=O)/C=C/c1cc(O)c(O)cc1)C(=O)O)C(=O)O)C(=O)/C=C/c1cc(O)c(O)cc1
SMART	[H]OC(=O)[C@@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])[C@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])C(=O)O[H]
CAS No.	52248-48-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C100435
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase