Compound	Antofine
NPACT-Id	NPACT01131
IUPAC	-
Synonyms	Pregn-5-en-20-one, 3.beta.-hydroxy-, acetate;Pregn-5-en-20-one, 3-(acetyloxy)-, (3.beta.)-;Antofin;Artivis;Enescorb;Previsone;Sharmone;Pregenolone acetate;Pregnenolone-3-acetate;Pregn-5-en-20-one, acetate;
PubChem Id	639288
Class	Alkaloids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	BCL2 \| BCL2L1 \| CASP8 \| CCND1 \| CCNE1 \| CDK4 \| CTNNBIP1 \| PARP1 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	NCVWJDISIZHFQS-CQSZACIVSA-N
InChi	1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
SMILES	O(c1cc2c3C[C@@H]4N(CCC4)Cc3c3c(c2cc1OC)cc(OC)cc3)C
SMART	[#6]OC1=CC2=C(C=C1)C1=C(C[C@H]3CCCN3C1)C1=CC(O[#6])=C(O[#6])C=C21
CAS No.	1778-02-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C473343
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase