a a

Compound	Cucurbitacin Q
NPACT-Id	NPACT00455
IUPAC	1,5-dihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms	-
PubChem Id	5281323
Class	Terpenoids
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	STAT3 \| All \|
Properties	Physical Elemental Topological
InChi Key	LMJMTWXDWFWZHV-CWJYERATSA-N
InChi	1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
SMILES	O[C@H]1[C@@H]([C@@]2([C@]([C@H]3[C@]([C@H]4C(=CC3)C([C@H](O)[C@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C
SMART	[H]O[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])=C4[C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4(C([H])([H])[H])C([H])([H])[H])[C@@]3(C(=O)C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])[C@@](O[H])(C(=O)C([H])=C(/[H])[C@](OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	25383-25-9; 51868-64-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C500746
	HIT	C0532
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase