Compound	Fumarprotocetraric acid
NPACT-Id	NPACT01211
IUPAC	-
Synonyms	10-formyl-3,9-dihydroxy-4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]oxymethyl]-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid;2-butenedioic acid, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester, (2E)-;9-({[(2E)-3-carboxyprop-2-enoyl]oxy}methyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid;
PubChem Id	5317419
Class	Unknown
In-vitro anticancer activtiy	6 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	VEGGRTFDFMUBPD-ONEGZZNKSA-N
InChi	1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
SMILES	O1c2c(OC(=O)c3c1c(c(O)cc3C)C=O)c(c(O)c(c2C)C(=O)O)COC(=O)/C=C/C(=O)O
SMART	[H]OC(=O)C([H])=C(/[H])C(=O)OC([H])([H])C1=C(O[H])C(C(=O)O[H])=C(C2=C1OC(=O)C1=C(O2)C(C([H])=O)=C(O[H])C([H])=C1C([H])([H])[H])C([H])([H])[H]
CAS No.	489-50-9
Structure Download
Cross Refrence in other databases
	Super Natural	000489509
	CTD	C026307
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	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