Compound	1,2,4-trihydroxyheptadec-16-yne
NPACT-Id	NPACT00023
IUPAC	heptadec-16-yne-1,2,4-triol
Synonyms	16-Heptadecyne-1,2,4-triol; heptadec-16-yne-1,2,4-triol
PubChem Id	3015189
Class	Aliphatic natural products
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	OHLQBKZXSJYBMK-UHFFFAOYSA-N
InChi	1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2
SMILES	O[C@H](CCCCCCCCCCCC#C)C[C@H](O)CO
SMART	[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#C[H]
CAS No.	24607-05-4
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemFrog,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase