Compound	Martynoside
NPACT-Id	NPACT00757
IUPAC	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl](E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Synonyms	martynoside A
PubChem Id	5319292
Class	Carbohydrates
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	WLWAYPFRKDSFCL-CNMJWYMJSA-N
InChi	1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,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](OC(=O)/C=C/c2cc(OC)c(O)cc2)[C@H](O[C@@H](OCCc2cc(O)c(OC)cc2)[C@@H]1O)CO)[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])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])C([H])([H])C3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3[H])O[C@]2([H])C([H])([H])O[H])C([H])=C1[H]
CAS No.	67884-12-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C410405
	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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

Help

FAQs

Statistics

Tool

Contact