Compound	Trichothecin
NPACT-Id	NPACT01352
IUPAC	-
Synonyms	12,13-Epoxy-4-hydroxytrichothec-9-en-8-one crotonate;12,13-Epoxy-4-((1-oxo-2-butenyl)oxy)trichothec-9-en-8-one;Trichothec-9-en-8-one, 12,13-epoxy-4-((1-oxo-2-butenyl)oxy)-, (4beta)-;Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate;6379-69-7;
PubChem Id	6436600
Class	Terpenoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| CASP9 \| All \|
Properties	Physical Elemental Topological
InChi Key	LJWZOKOFCBPNAG-AWAILGSRSA-N
InChi	1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18?,19?/m1/s1
SMILES	O1C2(C3([C@@]4([C@H](O[C@@H]2C[C@H]3OC(=O)/C=CC)C=C(C(=O)C4)C)C)C)C1
SMART	[H]C(=C(/[H])C([H])([H])[H])C(=O)O[C@]1([H])C([H])([H])[C@@]2([H])O[C@]3([H])C([H])=C(C([H])([H])[H])C(=O)C([H])([H])[C@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])[C@]21OC1([H])[H]
CAS No.	6379-69-7
Structure Download
Cross Refrence in other databases
	Super Natural	006379697
	CTD	C025711
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase