Compound	Zhankuic acid A
NPACT-Id	NPACT01033
IUPAC	(6R)-2-methyl-3-methylidene-6-[(4S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Synonyms	-
PubChem Id	10600386
Class	Terpenoids
In-vitro anticancer activity	10 cancer cell lines
In-Vivo anticancer activity	No
Targets	BCL2 \| CASP3 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	DVORYMAGXQGBQK-JQSSRXJYSA-N
InChi	1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21?,28+,29-/m1/s1
SMILES	O=C1C[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)O)C)C2=C1[C@@]1([C@H](CC2=O)[C@@H](C(=O)CC1)C)C)C
SMART	[H]OC(=O)[C@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C3=O)C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C098367
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase