Compound	Trichothecolone
NPACT-Id	NPACT01354
IUPAC	-
Synonyms	(4beta)-12,13-Epoxy-4-hydroxytrichothec-9-en-8-one;Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4beta)-
PubChem Id	107974
Class	Terpenoids
In-vitro anticancer activtiy	4 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	BURHPZJXARNGQY-YNBGEIFUSA-N
InChi	1S/C15H20O4/c1-8-4-11-13(2,6-9(8)16)14(3)10(17)5-12(19-11)15(14)7-18-15/h4,10-12,17H,5-7H2,1-3H3/t10-,11-,12-,13+,14?,15?/m1/s1
SMILES	O1C2(C3([C@@]4([C@H](O[C@@H]2C[C@H]3O)C=C(C(=O)C4)C)C)C)C1
SMART	[H]O[C@]1([H])C([H])([H])[C@@]2([H])O[C@]3([H])C([H])=C(C(=O)C([H])([H])[C@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])[C@]21OC1([H])[H])C([H])([H])[H]
CAS No.	2199-06-6
Structure Download
Cross Refrence in other databases
	Super Natural	002199066
	CTD	C048128
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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