Compound	Beta-peltatin
NPACT-Id	NPACT00328
IUPAC	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms	beta-Peltatin A;beta-Peltatin;PELTATIN B;PELTATIN, BETA;alpha-Peltalin A;Peltatin methyl ether
PubChem Id	92122
Class	Lignans
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
InChi	1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
SMILES	O1C[C@H]2[C@@H]([C@@H](c3c(C2)c(O)c2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O
SMART	[#6]OC1=CC(=CC(O[#6])=C1O[#6])[C@H]1[C@@H]2[C@H](COC2=O)CC2=C(O)C3=C(OCO3)C=C12
CAS No.	518-29-6
Structure Download
Cross Refrence in other databases
	Super Natural	00518296
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	518-29-6
Suppliers	ABI Chem, ZINC,
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