Compound	Caffeic acid
NPACT-Id	NPACT00366
IUPAC	(2E,4E,6E,8E)-12-[[(1S,3R,7R,8R,8aS)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
Synonyms	3,4-Dihydroxycinnamic acid; trans-Caffeate; 3,4-Dihydroxy-trans-cinnamic acid
PubChem Id	689043
Class	Lignans
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	ROS1 \| All \|
Properties	Physical Elemental Topological
InChi Key	QAIPRVGONGVQAS-DUXPYHPUSA-N
InChi	1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
SMILES	Oc1cc(ccc1O)/C=C/C(=O)O
SMART	[H]OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.	331-39-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C040048
	HIT	C0386
	NCI-60 GI₅₀ data	331-39-5
Suppliers	ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, Aronis, Biosynth, Calbiochem, ChemExper Chemical Directory, ChemMol, FINETECH, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, Specs, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Vitas-M Laboratory,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase