Compound	Podophyllotoxin
NPACT-Id	NPACT00872
IUPAC	(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Synonyms	Podofilox;Condylox;Podophyllotoxin 7
PubChem Id	10607
Class	Lignans
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	MAPK8 \| All \|
Properties	Physical Elemental Topological
InChi Key	YJGVMLPVUAXIQN-XVVDYKMHSA-N
InChi	1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
SMILES	O1C[C@H]2[C@@H]([C@@H](c3c([C@@H]2O)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O
SMART	[H]O[C@@]1([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C(=O)OC([H])([H])[C@]12[H]
CAS No.	518-28-5
Structure Download
Cross Refrence in other databases
	Super Natural	000518285
	CTD	D011034
	HIT	C0083
	NCI-60 GI₅₀ data	518-28-5
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical Directory, ChemMol, Enamine, Hangzhou APIChem Technology, NIH Clinical Collection, R&D Chemicals, Sigma-Aldrich, Therapeutic Targets Database, TimTec, Vitas-M Laboratory,
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