Compound	Chrysophanol
NPACT-Id	NPACT00420
IUPAC	2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Synonyms	-
PubChem Id	10208
Class	Polycyclic aromatic natural products
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	APAF1 \| BAX \| CASP12 \| CASP3 \| CASP8 \| CASP9 \| CYCS \| ENDOG \| GSTM1 \| LDHB \| All \|
Properties	Physical Elemental Topological
InChi Key	LQGUBLBATBMXHT-UHFFFAOYSA-N
InChi	1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
SMILES	Oc1c2c(C(=O)c3c(C2=O)c(O)ccc3)cc(c1)C
SMART	[H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])[H])C2=O
CAS No.	481-74-3
Structure Download
Cross Refrence in other databases
	Super Natural	000481743
	CTD	C027113
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, Hangzhou APIChem Technology, MolPort, MP Biomedicals, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TimTec,
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