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Compound	Coriadienin
NPACT-Id	NPACT00437
IUPAC	(2S)-4-[(2R,5R)-2,5-dihydroxy-5-[(2S,5S)-5-[(1S,3R,5S,8R,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one
Synonyms	(+)-Coriadienin
PubChem Id	6442220
Class	Polyketides
In-vitro anticancer activtiy	1 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	ZUDUTMXXOVZHHX-VKRJBFOFSA-N
InChi	1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-22-27-35(40)36(41)28-23-17-14-11-10-12-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h12,14-15,17,29,31,33-36,38-41H,3-11,13,16,18-28,30H2,1-2H3/b15-12+,17-14+
SMILES	O[C@@H](CCCCCCCCCCCC)[C@@H](O)CC/C=C/CC/C=C/CC[C@@H](O)CCCCC[C@H](O)CC1=C[C@H](OC1=O)C
SMART	[H]O[C@]([H])(C([H])([H])C1=C([H])[C@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])=C(/[H])C([H])([H])C([H])([H])C([H])=C(/[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.	176111-70-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C100861
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase