Compound	Cucurbitacin D
NPACT-Id	NPACT00450
IUPAC	[(E)-6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Synonyms	Elatericine A
PubChem Id	5281318
Class	Terpenoids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	BCL2 \| BCL2L1 \| NFKB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	SRPHMISUTWFFKJ-QJNWWGCFSA-N
InChi	1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
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)/C=C/C(O)(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(=O)[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@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	3877-86-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C038105
	HIT	-
	NCI-60 GI₅₀ data	3877-86-9
Suppliers	ABI Chem, Ambinter, IS Chemical Technology,
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

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