Compound	Aloe-emodin
NPACT-Id	NPACT00231
IUPAC	(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Synonyms	-
PubChem Id	10207
Class	Polycyclic aromatic natural products
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	MAPK1 \| MMP2 \| MMP9 \| NFKB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	YDQWDHRMZQUTBA-UHFFFAOYSA-N
InChi	1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
SMILES	Oc1c2c(C(=O)c3c(C2=O)c(O)ccc3)cc(c1)CO
SMART	[H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])O[H])C2=O
CAS No.	481-72-1
Structure Download
Cross Refrence in other databases
	Super Natural	000481721
	CTD	-
	HIT	C0324
	NCI-60 GI₅₀ data	481-72-1
Suppliers	AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, IS Chemical Technology, Kingston Chemistry, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, Therapeutic Targets Database, 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