Compound	Periplocymarin
NPACT-Id	NPACT00852
IUPAC	3-[(3S,5S,8R,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonyms	-
PubChem Id	6708762
Class	Steroids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	XRWQBDJPMXRDOQ-IDULJFIXSA-N
InChi	1S/C30H46O8/c1-17-26(32)23(35-4)14-25(37-17)38-19-5-9-27(2)21-6-10-28(3)20(18-13-24(31)36-16-18)8-12-30(28,34)22(21)7-11-29(27,33)15-19/h13,17,19-23,25-26,32-34H,5-12,14-16H2,1-4H3/t17-,19+,20-,21?,22-,23-,25+,26+,27-,28-,29+,30+/m1/s1
SMILES	O[C@@]12[C@H]3[C@@H]([C@@]4([C@](O)(CC3)C[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](OC)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C
SMART	[H]O[C@@]1([H])[C@]([H])(O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]4([H])C([H])([H])C([H])([H])[C@]5(C([H])([H])[H])[C@@]([H])(C6=C([H])C(=O)OC6([H])[H])C([H])([H])C([H])([H])[C@]5(O[H])[C@]4([H])C([H])([H])C([H])([H])[C@]3(O[H])C2([H])[H])C([H])([H])[C@@]1([H])OC([H])([H])[H])C([H])([H])[H]
CAS No.	32476-67-8
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	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

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