Compound	D-gamma-tocotrienol
NPACT-Id	NPACT00498
IUPAC	(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Synonyms	gamma-Tocotrienol;(R-(E,E))-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;Gama-Tocotrienol;Plastochromanol3;2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-,(R-(E,E))-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-,[R-(E,E)]-;D-gamma-Tocotrienol;(R)-gamma-Tocotrienol;7,8-Dimethyltocotrienol;6-Chromanol,2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-(7CI,8CI);(2R)-2,7,8-trimethyl-2-(4',8',12'-trimethyl-trideca-3',7',11'-trienyl)-6-hydroxychroman;(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol;(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;2H-1-benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-,(2R)-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-,(2R)-(9CI);2R,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol;
PubChem Id	5282349
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	OTXNTMVVOOBZCV-WAZJVIJMSA-N
InChi	1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
SMILES	O1[C@@](CCc2c1c(c(c(O)c2)C)C)(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C
SMART	[H]OC1=C(C([H])([H])[H])C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H]
CAS No.	14101-61-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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