Compound	Genipin
NPACT-Id	NPACT00603
IUPAC	methyl(1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Synonyms	-
PubChem Id	442424
Class	Terpenoids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	CYCS \| TP63 \| UCP2 \| All \|
Properties	Physical Elemental Topological
InChi Key	AZKVWQKMDGGDSV-BCMRRPTOSA-N
InChi	1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
SMILES	O1[C@@H](O)[C@H]2[C@H](CC=C2CO)C(=C1)C(=O)OC
SMART	[H]OC([H])([H])C1=C([H])C([H])([H])[C@]2([H])C(=C([H])O[C@@]([H])(O[H])[C@]12[H])C(=O)OC([H])([H])[H]
CAS No.	6902-77-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C007834
	HIT	C0344
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemMol, MolPort, TimTec, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	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