CHEBI:67171 - cortistatin A

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ChEBI Name cortistatin A
ChEBI ID CHEBI:67171
Definition A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3α position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17β enantiomer).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H36N2O3
Net Charge 0
Average Mass 472.61840
Monoisotopic Mass 472.273
InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
InChIKey KSGZCKSNTAJOJS-DZBMUNJRSA-N
SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): 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.
(via cortistatins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cortistatin A (CHEBI:67171) is a cortistatins (CHEBI:67169)
cortistatin A (CHEBI:67171) is a diol (CHEBI:23824)
cortistatin A (CHEBI:67171) is a secondary alcohol (CHEBI:35681)
Incoming cortistatin B (CHEBI:67173) has functional parent cortistatin A (CHEBI:67171)
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-diol
Synonyms Sources
(+)-cortistatin A ChEBI
(1R,2R,3S,5R,8α,17β)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2-diol IUPAC
Registry Number Type Source
10502377 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18479104 PubMed citation Europe PMC
20925326 PubMed citation Europe PMC
21539314 PubMed citation Europe PMC
21651309 PubMed citation Europe PMC
22879684 PubMed citation Europe PMC
Last Modified
21 August 2012