Compound	Isomartynoside
NPACT-Id	NPACT00677
IUPAC	[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Synonyms	4-methoxyphenyl)prop-2-enoate
PubChem Id	6476337
Class	Unknown
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YRJXXSNZBARBSO-ZXLVUZSHSA-N
InChi	1S/C31H40O15/c1-15-24(35)26(37)27(38)31(44-15)46-29-25(36)22(14-43-23(34)9-6-16-5-8-20(40-2)19(33)12-16)45-30(28(29)39)42-11-10-17-4-7-18(32)21(13-17)41-3/h4-9,12-13,15,22,24-33,35-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29-,30+,31-/m0/s1
SMILES	O([C@H]1[C@H](O)[C@H](O[C@@H](OCCc2cc(OC)c(O)cc2)[C@@H]1O)COC(=O)/C=C/c1cc(O)c(OC)cc1)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
SMART	[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])OC(=O)C([H])=C(/[H])C2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@@]1([H])O[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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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