a a

Compound	Chaparrin
NPACT-Id	NPACT00414
IUPAC	-
Synonyms	Chaparrin triacetate
PubChem Id	280691
Class	Terpenoids
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	NPQJJHOPXSNUKW-UHFFFAOYSA-N
InChi	1S/C26H34O10/c1-11-7-18(33-13(3)27)22(35-15(5)29)24(6)16(11)8-19-25-10-32-26(31,23(24)25)21(34-14(4)28)12(2)17(25)9-20(30)36-19/h7,12,16-19,21-23,31H,8-10H2,1-6H3
SMILES	O1[C@]2(O)[C@@H]3[C@@]4([C@@H]([C@H]([C@@H]2OC(=O)C)C)CC(=O)O[C@@H]4C[C@@H]2[C@]3([C@@H](OC(=O)C)[C@H](OC(=O)C)C=C2C)C)C1
SMART	[H]O[C@@]12OC([H])([H])[C@]34[C@]1([H])[C@]1(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])=C(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]3([H])OC(=O)C([H])([H])[C@]4([H])[C@@]([H])(C([H])([H])[H])[C@]2([H])OC(=O)C([H])([H])[H]
CAS No.	4616-50-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C052512
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase