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CHEBI:67175 - cortistatin D

ChEBI IDCHEBI:67175
ChEBI Namecortistatin D
Stars
DefinitionA member of the class of cortistatins that is cortistatin C in which the hydrogen at position 17 has been replaced by a hydroxy group.
Last Modified7 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H34N2O5
Net Charge0
Average Mass502.611
Monoisotopic Mass502.24677
SMILES[H][C@@]12CC(=O)[C@](O)(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/C30H34N2O5/c1-27-8-6-19-13-21-25(34)26(35)22(32(2)3)15-28(21)9-10-29(19,37-28)23(27)14-24(33)30(27,36)20-5-4-17-7-11-31-16-18(17)12-20/h4-7,11-13,16,22-23,25-26,34-36H,8-10,14-15H2,1-3H3/t22-,23+,25+,26+,27-,28+,29+,30+/m0/s1
InChIKeyVSVYWUPPYDXESC-OMXDIREYSA-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 D (CHEBI:67175) has functional parent cortistatin C (CHEBI:67174)
cortistatin D (CHEBI:67175) is a cortistatins (CHEBI:67169)
cortistatin D (CHEBI:67175) is a cyclic ketone (CHEBI:3992)
cortistatin D (CHEBI:67175) is a diol (CHEBI:23824)
cortistatin D (CHEBI:67175) is a secondary alcohol (CHEBI:35681)
cortistatin D (CHEBI:67175) is a tertiary alcohol (CHEBI:26878)
cortistatin D (CHEBI:67175) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(1R,2R,3S,5R)-3-(dimethylamino)-1,2,17α-trihydroxy-17β-(isoquinolin-7-yl)-5,8α-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-one
Synonyms  Source
(−)-cortistatin DChEBI
(1R,2R,3S,5R,8α,17α)-3-(dimethylamino)-1,2,17-trihydroxy-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-oneIUPAC
Registry NumbersSources
Reaxys:10504489Reaxys
Citations