Compound	Paucin
NPACT-Id	NPACT01290
IUPAC	-
Synonyms	(3ar,4as,7s,7as,8r,9ar)-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 6-o-acetyl-\|A-d-glucopyranoside;[(2R,3S,4S,5R,6R)-6-[[(3aR,5R,5aS,6S,8aS,9aR)-5,8a- dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate;
PubChem Id	161538
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	GUDGKGBWXIZDPA-ZOWPBZTMSA-N
InChi	1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15-,17-,18-,19+,20-,22-,23-/m1/s1
SMILES	O([C@@H]1[C@@H]2[C@](C[C@H]3[C@H](OC(=O)C3=C)C[C@H]2C)(C(=O)C1)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)C
SMART	[H]O[C@@]1([H])[C@]([H])(O[C@@]2([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])[C@]4([H])C(=C([H])[H])C(=O)O[C@]4([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]23[H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	26836-43-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C008772
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Kingston Chemistry,
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

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