Compound	Tithofolinolide
NPACT-Id	NPACT00978
IUPAC	[(3aR,4R,5aR,6R,8S,9S,9aS,9bS)-8-acetyloxy-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate
Synonyms	-
PubChem Id	10938482
Class	Terpenoids
In-vitro anticancer activtiy	2 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	UABMYELNJDXARW-SYUVKRIKSA-N
InChi	1S/C21H30O8/c1-9(2)18(24)28-12-8-20(5)13(23)7-14(27-11(4)22)21(6,26)17(20)16-15(12)10(3)19(25)29-16/h9,12-17,23,26H,3,7-8H2,1-2,4-6H3/t12-,13-,14+,15-,16+,17-,20+,21-/m1/s1
SMILES	O1[C@@H]2[C@@H]3[C@@](C[C@@H](OC(=O)C(C)C)[C@H]2C(=C)C1=O)([C@H](O)C[C@H](OC(=O)C)[C@]3(O)C)C
SMART	[#6][C@H]([#6])C(=O)O[C@@H]1C[C@@]2([#6])[C@H](O)C[C@H](OC([#6])=O)[C@@]([#6])(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C457142
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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