Compound	Escobarine A
NPACT-Id	NPACT00565
IUPAC	(1aR,1bS,2S,3aS,7aR,7bS,9aR)-9a-ethynyl-2-hydroxy-4,4,7a-trimethyl-9-oxo-2,3,3a,5,6,7,7b,8-octahydro-1bH-phenanthro[1,2-b]oxirene-1a-carbaldehyde
Synonyms	-
PubChem Id	11983334
Class	Terpenoids
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	RLCVKAJQPCOLQK-OJQPHWMWSA-N
InChi	1S/C20H26O4/c1-5-19-15(23)9-12-16(20(19,11-21)24-19)13(22)10-14-17(2,3)7-6-8-18(12,14)4/h1,11-14,16,22H,6-10H2,2-4H3/t12-,13-,14-,16-,18+,19-,20+/m0/s1
SMILES	O1[C@@]2([C@H]3[C@@H]([C@@]4([C@H](C(CCC4)(C)C)C[C@@H]3O)C)CC(=O)[C@]12C#C)C=O
SMART	[#6][C@@]1([#6])CCC[C@]2([#6])[C@H]3CC(=O)[C@@]4(O[C@]4(C=O)[C@@H]3[C@@H](O)C[C@@H]12)C#C
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	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