a a

Compound	Casearborin C
NPACT-Id	NPACT00401
IUPAC	[1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl]4-hydroxybenzoate
Synonyms	-
PubChem Id	6367397
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	CIQOXQMVAFIWID-SFQUDFHCSA-N
InChi	1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+
SMILES	O1[C@@H](OC(=O)C)[C@]23[C@@H]([C@@]([C@H](C[C@H]2OC(=O)c2ccc(O)cc2)C)(C/C=C(C)/C=C)C)C[C@@H](O)C=C3[C@@H]1OC(=O)C
SMART	[#6][C@H]1C[C@@H](OC(=O)C2=CC=C(O)C=C2)[C@@]23[C@H](OC([#6])=O)O[C@@H](OC([#6])=O)C2=C[C@H](O)C[C@@H]3[C@]1([#6])CC=C(/[#6])C=C
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	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	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase