Compound	Dehydrotomatine
NPACT-Id	NPACT00488
IUPAC	-
Synonyms	-
PubChem Id	-
Class	Alkaloids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	BYMOGFTUZUEFHY-SKCHXZCUSA-N
InChi	1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,
SMILES	C1C[C@@H](CC2=CC[C@H]3[C@H]([C@@]12C)CC[C@@]1([C@@H]2[C@H](C[C@H]31)O[C@]1([C@H]2C)CC[C@@H](CN1)C)C)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H](O)[C@H]([C@@H]1O)O)O
SMART	[H][C@]12C[C@]3([H])[C@@]4([H])CC=C5C[C@H](CC[C@]5([#6])[C@]4([H])CC[C@]3([#6])[C@@]1([H])[C@H]([#6])[C@]1(CC[C@]([H])([#6])CN1)O2)O[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C484752
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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