Compound	Erlangerins B
NPACT-Id	NPACT00556
IUPAC	[(3aR,4R,9aS)-4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3-oxo-1,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3a-yl] acetate
Synonyms	2alpha-Acetoxy-6-methoxypolygamatin
PubChem Id	636994
Class	Lignans
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	SEMJADKBFZYYKQ-VNJOCVIMSA-N
InChi	1S/C24H24O9/c1-12(25)33-24-15(10-30-23(24)26)7-14-9-18(27-2)21(28-3)22(29-4)19(14)20(24)13-5-6-16-17(8-13)32-11-31-16/h5-6,8-9,15,20H,7,10-11H2,1-4H3/t15-,20+,24-/m0/s1
SMILES	O1C[C@H]2[C@](OC(=O)C)([C@@H](c3c(C2)cc(OC)c(OC)c3OC)c2cc3OCOc3cc2)C1=O
SMART	[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)[C@]1([H])C2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@@]2([H])C([H])([H])OC(=O)[C@@]12OC(=O)C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	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