Compound	Taxumairol Q
NPACT-Id	NPACT01344
IUPAC	-
Synonyms	(2aR,4S,4aS,5R,6R,8S,9aS,10S,10bS)-4,5,6,8-tetrahydroxy-9a-(1-hydroxy-1-methylethyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-10,10b(2aH)-diyl reldi-acet;1H-azuleno[5',6':3,4]benz[1,2-b]oxete-4,5,6,8,10,10b(2aH)-hexol, 3,4,4a,5,6,8,9,9a,10,10a-decahydro-9a-(1-hydroxy-1-methylethyl)-4a,7-dimethyl-, 10,10b-diacetate, (2aR,4S,4aS,5R,6R,8S,9aS,10S,10bS)-;
PubChem Id	637469
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	TVMSZRKICIOFTN-XQONWTRDSA-N
InChi	1S/C24H36O10/c1-10-13(27)8-23(21(4,5)31)16(10)17(29)19(30)22(6)14(28)7-15-24(9-32-15,34-12(3)26)18(22)20(23)33-11(2)25/h13-15,17-20,27-31H,7-9H2,1-6H3/t13-,14-,15+,17+,18-,19-,20-,22+,23-,24-/m0/s1
SMILES	O1[C@H]2[C@](OC(=O)C)([C@@H]3[C@@]([C@@H](O)C2)([C@@H](O)[C@H](O)C2=C([C@@H](O)C[C@]2([C@H]3OC(=O)C)C(O)(C)C)C)C)C1
SMART	[H]O[C@]1([H])C(=C2[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]4([H])OC([H])([H])[C@@]4(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C1([H])[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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