Compound	Toosendanin
NPACT-Id	NPACT00983
IUPAC	-
Synonyms	-
PubChem Id	45358155
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BAX \| BCL2 \| CASP3 \| CYCS \| Fas \| All \|
Properties	Physical Elemental Topological
InChi Key	NAHTXVIXCMUDLF-NBMWPCEXSA-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	[#6]C(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@H](O)[C@@]1([#6])[C@@H]2C[C@@H](O)[C@]1([#6])[C@@H]3C(=O)[C@H](OC([#6])=O)[C@@]2([#6])[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
CAS No.	58812-37-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C036454
	HIT	C0246
	NCI-60 GI₅₀ data	-
Suppliers	ChemMol,
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