Compound	Isoxanthochymol
NPACT-Id	NPACT00685
IUPAC	-
Synonyms	-
PubChem Id	10461245
Class	Simple aromatic natural products
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| All \|
Properties	Physical Elemental Topological
InChi Key	KXTNVBQRLRYVCO-MWVHARJDSA-N
InChi	1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m0/s1
SMILES	O1C2=C(C(=O)[C@]3(C([C@H](C[C@@]2(C3=O)C[C@H](C1(C)C)CC=C(C)C)CC=C(C)C)(C)C)CC=C(C)C)C(=O)c1cc(O)c(O)cc1
SMART	[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C1=C2O[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]22C(=O)[C@](C1=O)(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H]
CAS No.	52617-33-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C515918
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase