Compound	Xanthochymol
NPACT-Id	NPACT01023
IUPAC	(3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Synonyms	-
PubChem Id	5476629
Class	Simple aromatic natural products
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| CASP7 \| All \|
Properties	Physical Elemental Topological
InChi Key	TZZQZCIACNYHBG-MVJHLKBCSA-N
InChi	1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-41H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/b32-31-
SMILES	O=C1[C@]2(C([C@H](C[C@]1(C[C@@H](CCC(=C)C)C(=C)C)C(=O)/C(=C(/O)c1cc(O)c(O)cc1)/C2=O)CC=C(C)C)(C)C)CC=C(C)C
SMART	[H]OC(C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])=C1C(=O)[C@@]2(C(=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])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H]
CAS No.	52617-32-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C414432
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase