Compound	Odoroside A
NPACT-Id	NPACT00824
IUPAC	3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonyms	Wallichoside;Somalin;Hongheloside G;Beaumontia grandiflora
PubChem Id	122736
Class	Steroids
In-vitro anticancer activtiy	10 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YBZZSZQZDODUAA-UHFFFAOYSA-N
InChi	1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3
SMILES	O[C@]12[C@H]3[C@@H]([C@@]4([C@@H](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@@]([H])(C([H])([H])C([H])([H])[C@]4([H])[C@]3([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C5=C([H])C(=O)OC5([H])[H])C([H])([H])C([H])([H])[C@@]43O[H])C2([H])[H])C([H])([H])[C@@]1([H])OC([H])([H])[H])C([H])([H])[H]
CAS No.	12708-27-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, 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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase