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CHEBI:67173 - cortistatin B

ChEBI IDCHEBI:67173
ChEBI Namecortistatin B
Stars
DefinitionA member of the class of cortistatins that is cortistatin A in which the hydrogen at the 16β position has been replaced by a hydroxy group.
Last Modified21 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H36N2O4
Net Charge0
Average Mass488.628
Monoisotopic Mass488.26751
SMILES[H][C@@]12C[C@H](O)[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@@H](N(C)C)C[C@]34CC[C@@]12O4
InChIInChI=1S/C30H36N2O4/c1-28-8-6-20-13-21-26(34)27(35)22(32(2)3)15-29(21)9-10-30(20,36-29)24(28)14-23(33)25(28)18-5-4-17-7-11-31-16-19(17)12-18/h4-7,11-13,16,22-27,33-35H,8-10,14-15H2,1-3H3/t22-,23-,24+,25-,26+,27+,28-,29+,30+/m0/s1
InChIKeyUOILBRZCKBLNDS-KMWHWPCOSA-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 B (CHEBI:67173) has functional parent cortistatin A (CHEBI:67171)
cortistatin B (CHEBI:67173) is a cortistatins (CHEBI:67169)
cortistatin B (CHEBI:67173) is a diol (CHEBI:23824)
cortistatin B (CHEBI:67173) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
cortistatin C (CHEBI:67174) has functional parent cortistatin B (CHEBI:67173)
IUPAC Name 
(1R,2R,3S,5R)-3-(dimethylamino)-17β-(isoquinolin-7-yl)-5,8α-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2,16β-triol
Synonyms  Source
(1R,2R,3S,5R,8α,16β,17β)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2,16-triolIUPAC
(+)-cortistatin BChEBI
Registry NumbersSources
Reaxys:10503473Reaxys
Citations