Compound	Dinoxin B
NPACT-Id	NPACT00510
IUPAC	(2R)-2-[(1R)-2-hydroxy-1-[(8S,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one
Synonyms	-
PubChem Id	51041991
Class	Steroids
In-vitro anticancer activity	22 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	LZMUHRZRHBVVTP-MHEOYVQJSA-N
InChi	1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,
SMILES	O[C@H]1[C@]2([C@H]([C@H]3[C@H](C1)[C@@]1(C(=CC3)CC=CC1=O)C)CC[C@@H]2[C@@H]([C@@H]1OC(=O)C(=C(C1)C)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CO)C
SMART	[H]OC([H])([H])[C@@]([H])([C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])=C([H])C(=O)[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@@]([H])(O[H])[C@]12C([H])([H])[H])[C@]1([H])OC(=O)C(=C(C([H])([H])[H])C1([H])[H])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C557515
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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

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