Compound	23,24-Dihydrocucurbitacin B
NPACT-Id	NPACT00075
IUPAC	[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Synonyms	Dihydrocucurbitacin Q1;Hemslecin A;Cucurbitacin Iia
PubChem Id	588303
Class	Terpenoids
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| CASP8 \| CASP9 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	QZJJDOYZVRUEDY-UHFFFAOYSA-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/h10,19-22,25,34-35,39H,11-16H2,1-9H3
SMILES	O[C@@H]1[C@@H]([C@@]2([C@@]([C@@H]3[C@]([C@H]4C(=CC3)C(C(=O)[C@@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@](O)(C)C(=O)CCC(OC(=O)C)(C)C
SMART	[#6]C(=O)O[C@]([#6])([#6])CCC(=O)[C@]([#6])(O)[C@H]1[C@@H](O)C[C@]2([#6])[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)[C@@]4([#6])[#6])[C@]3([#6])C(=O)C[C@]12[#6]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C478086
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase