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CHEBI:67179 - cortistatin E

ChEBI IDCHEBI:67179
ChEBI Namecortistatin E
Stars
DefinitionA member of the class of cortistatins that is substituted by a dimethylamino group at the 3α position and a (2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl group at the 17 position, with double bonds at the 1-10 and 9-19 positions (the 3R,5R,17β enantiomer).
Last Modified28 November 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H52N2O
Net Charge0
Average Mass480.781
Monoisotopic Mass480.40796
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC3CCN(C)CC3C)[C@@]1(C)CCC1=CC3=CC[C@@H](N(C)C)C[C@]34CC[C@@]12O4
InChIInChI=1S/C32H52N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9,19,22-24,27-29H,7-8,10-18,20-21H2,1-6H3/t22-,23?,24?,27-,28-,29-,30-,31-,32-/m1/s1
InChIKeyNHQQBQFKOMCHDG-FCFSTLODSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
angiogenesis modulating agent  An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
ChEBI Ontology
Outgoing Relation(s)
cortistatin E (CHEBI:67179) is a cortistatins (CHEBI:67169)
IUPAC Name 
(3R,5R)-N,N-dimethyl-17β-[(2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl]-5,8α-epoxy-9,19-cyclo-9,10-secoandrosta-1(10),9(19)-dien-3-amine