Compound	4'-O-methylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
NPACT-Id	NPACT00163
IUPAC	-
Synonyms	[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 3-[(2,3-di-O-acetyl-6-deoxyhexopyranosyl)oxy]-2,8-dihydroxy-7-methoxy-2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 2,3-di-O-acetyl-6-deoxyhexopyranoside; Acetic acid 3-acetoxy-2-(2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydro-chromeno[5,4,3-cde]chromen-3-yloxy)-5-hydroxy-6-methyl-tetrahydro-pyran-4-yl ester
PubChem Id	5323519
Class	Benzopyranoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	KNGJTKQJDRESAB-MYFGMOGUSA-N
InChi	1S/C25H22O14/c1-7-16(29)21(35-8(2)26)22(36-9(3)27)25(34-7)39-18-12(28)5-10-15-14-11(24(32)38-20(15)18)6-13(33-4)17(30)19(14)37-23(10)31/h5-7,16,21-22,25,28-30H,1-4H3/t7-,16+,21+,22-,25-/m1/s1
SMILES	O1[C@@H]([C@H](O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1Oc1c2oc(=O)c3c4c2c(cc1O)c(=O)oc4c(O)c(OC)c3)C
SMART	[H]OC1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])OC(=O)C([H])([H])[H])C2=C3C(=C1[H])C(=O)OC1=C3C(=C([H])C(OC([H])([H])[H])=C1O[H])C(=O)O2
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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