Compound	Methyl zhankuic acid A
NPACT-Id	NPACT00774
IUPAC	methyl(6R)-2-methyl-3-methylidene-6-[(4S,5S,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]heptanoate
Synonyms	Zhankuic Acid A Methyl Ester
PubChem Id	53319974
Class	Terpenoids
In-vitro anticancer activtiy	10 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	BCL2 \| CASP3 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	NZJIIJSJLBIJDO-RTMVVRFTSA-N
InChi	1S/C30H42O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,29+,30-/m1/s1
SMILES	O=C1C[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)OC)C)C2=C1[C@@]1([C@@H](CC2=O)[C@@H](C(=O)CC1)C)C)C
SMART	[#6]OC(=O)[C@@H]([#6])C(=C)CC[C@@H]([#6])[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12[#6])[C@@]1([#6])CCC(=O)[C@@H]([#6])[C@@H]1CC3=O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	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