a a

Compound	naviculyl caffeate
NPACT-Id	NPACT01282
IUPAC	-
Synonyms	[(2Z)-2-[(1R,3aS,4R,7aS)-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ylidene]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
PubChem Id	5471279
Class	Lignans
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	AFTXHVWTXMMGNO-KWMWQKORSA-N
InChi	1S/C24H32O4/c1-16-9-12-24(4)17(2)19(10-13-23(16,24)3)11-14-28-22(27)8-6-18-5-7-20(25)21(26)15-18/h5-8,11,15-17,25-26H,9-10,12-14H2,1-4H3/b8-6+,19-11-/t16-,17-,23+,24+/m1/s1
SMILES	O(C/C=C/1[C@H]([C@]2([C@]([C@@H](CC2)C)(CC1)C)C)C)C(=O)/C=C/c1cc(O)c(O)cc1
SMART	[H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])C([H])=C2C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]2([H])C([H])([H])[H])C([H])=C1[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C409631
	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	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase