Compound	(25S)-neospirost-4-en-3-one
NPACT-Id	NPACT00017
IUPAC	-
Synonyms	-
PubChem Id	10251134
Class	Steroids
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	AZXZUBZBLNFUPF-CLGLNXEMSA-N
InChi	1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES	O1[C@@H]2[C@@H]([C@@]3([C@H]([C@H]4[C@H](CC3)[C@@]3(C(=CC(=O)CC3)CC4)C)C2)C)[C@@H]([C@@]21OC[C@@H](CC2)C)C
SMART	[#6][C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5([#6])[C@H]4CC[C@]23[#6])O[C@]11CC[C@@H]([#6])CO1
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	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase