Compound	Carnosol
NPACT-Id	NPACT00393
IUPAC	(2S)-4-[(13R)-13-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms	-
PubChem Id	442009
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	NFKB1 \| NOS2 \| All \|
Properties	Physical Elemental Topological
InChi Key	XUSYGBPHQBWGAD-PJSUUKDQSA-N
InChi	1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
SMILES	O1[C@H]2C[C@@H]3[C@](CCCC3(C)C)(c3c2cc(c(O)c3O)C(C)C)C1=O
SMART	[H]OC1=C(O[H])C2=C(C([H])=C1[C@@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]22C([H])([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C1([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	005957802
	CTD	C068623
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, IS Chemical Technology, MolPort, 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