Compound	Toosendanal
NPACT-Id	NPACT00982
IUPAC	-
Synonyms	beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-
PubChem Id	115060
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	NAHTXVIXCMUDLF-SLWGVJJJSA-N
InChi	1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26?,27+,28+,29+,30+/m0/
SMILES	O1[C@@]23[C@]4([C@@H]([C@]56[C@@H](C[C@H]4O)[C@]([C@H](OC(=O)C)C[C@@H]5O)([C@@H](OC6)O)C)C(=O)[C@H](OC(=O)C)[C@]2([C@@H](C[C@@H]13)c1ccoc1)C)C
SMART	[H]O[C@]1([H])OC([H])([H])[C@]23[C@@]([H])(O[H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]1(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]([H])(O[H])[C@]1(C([H])([H])[H])[C@]3([H])C(=O)[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])[C@]([H])(C3=C([H])OC([H])=C3[H])C([H])([H])[C@@]3([H])O[C@@]123
CAS No.	58812-37-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemMol, IS Chemical Technology, Kingston Chemistry,
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