Compound	Argentinic acid D methyl ester
NPACT-Id	NPACT01135
IUPAC	-
Synonyms	Argentinic acid D, methyl ester;NSC-713585;[(3S,3aS,5R,5aR,6R,9R,9aR)-9-[(E,2R)-2-hydroxy-3-methylpent-3-enoyl]oxy-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,6,9a-trimethyl-3-[(3S,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,3,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-5-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
PubChem Id	5471744
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	AYIIDASEHCSCIW-QXWMOUNQSA-N
InChi	1S/C43H68O10/c1-13-25(5)35(45)38(47)52-30-22-42(10)29(27-20-28(51-23-27)19-24(3)4)15-16-31(42)43(11)33(53-39(48)36(46)26(6)14-2)21-32(40(7,8)49)41(9,37(30)43)18-17-34(44)50-12/h14,16,19,25,27-30,32-33,35-37,45-46,49H,13,15,17-18,20-23H2,1-12H3/b26-14+/t25
SMILES	O([C@H]1[C@H]2[C@](C3=CC[C@H]([C@@]3(C1)C)[C@@H]1C[C@H](OC1)C=C(C)C)([C@H](OC(=O)[C@H](O)/C(=C/C)/C)CC([C@@]2(CCC(=O)OC)C)C(O)(C)C)C)C(=O)[C@H](O)[C@@H](CC)C
SMART	[H]O[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[C@@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@@]2([H])[C@]([H])(OC(=O)[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]3(C([H])([H])[H])C(=C([H])C([H])([H])[C@@]3([H])[C@@]3([H])C([H])([H])O[C@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])C3([H])[H])[C@]12C([H])([H])[H])C(=C(/[H])C([H])([H])[H])C([H])([H])[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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