a a

Compound	Inuviscolide
NPACT-Id	NPACT01237
IUPAC	-
Synonyms	(3aS,5aS,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one;
PubChem Id	176489
Class	Terpenoids
In-vitro anticancer activtiy	2 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	birc5a \| CCNB1 \| CDK1 \| CDKN1A \| NFKB1 \| TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	GTYUWNQOOLJZBM-XLFUENPSSA-N
InChi	1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3/t10-,11-,12-,13+,15-/m1/s1
SMILES	O[C@]1([C@H]2[C@H](CC1)C(=C)C[C@@H]1OC(=O)C(=C)[C@H]1C2)C
SMART	[H]O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C(=C(/[H])[H])C([H])([H])[C@]3([H])OC(=O)C(=C([H])[H])[C@@]3([H])C([H])([H])[C@@]12[H]
CAS No.	63109-30-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C458886
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ZINC,
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