Compound	Spinasterol
NPACT-Id	NPACT00951
IUPAC	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms	Spinasterol;Bessisterol;Hitodesterol;alpha-Spinasterin;5-alpha-Stigmasta-7,22-dien-3-beta-ol,(E)-;Chondrillasterol;(3-beta,5-alpha,22E)-Stigmasta-7,22-dien-3-ol;Stigmasta-7,22-dien-3-ol,(3-beta,5-alpha,22E)-
PubChem Id	5281331
Class	Steroids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	JZVFJDZBLUFKCA-FXIAWGAOSA-N
InChi	1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILES	O[C@@H]1C[C@H]2[C@@]([C@@H]3C(=CC2)[C@H]2[C@@]([C@H](CC2)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC3)C)(CC1)C
SMART	[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C([H])=C(/[H])[C@@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H]
CAS No.	481-18-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C031312
	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	No
Similarity Search	Human metabolite database	FDA approved drugs

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