Compound	actein
NPACT-Id	NPACT01114
IUPAC	-
Synonyms	(2S,3R,4S,5R)-2-{[(4aR,5'R,5aS,7aR,7bR,10S,11aS,12aS,12bS,14aR)-4'-hydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-trio;
PubChem Id	15558324
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	AKT1 \| ATF3 \| CCND1 \| MAPK1 \| NFKB1 \| SRC \| All \|
Properties	Physical Elemental Topological
InChi Key	NEWMWGLPJQHSSQ-UHFFFAOYSA-N
InChi	1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3
SMILES	O(C1C2(C(C3C4(C5(C4)C(CC3)C(C(OC3OCC(O)C(O)C3O)CC5)(C)C)C1)(CC1OC3(OC(O)C4(OC34)C)CC(C21)C)C)C)C(=O)C
SMART	[#6]C1CC2(OC(O)C3([#6])OC23)OC2CC3([#6])C4CCC5C6(CC46CC(OC([#6])=O)C3([#6])C12)CCC(OC1OCC(O)C(O)C1O)C5([#6])[#6]
CAS No.	18642-44-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C096064
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ChemFrog,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase