cortistatin A (CHEBI:67171)

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CHEBI:67171 - cortistatin A

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ChEBI ID	CHEBI:67171
ChEBI Name	cortistatin A
Stars
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).
Last Modified	21 August 2012
Submitter	Gareth Owen
Downloads	Molfile

Formula	C30H36N2O3
Net Charge	0
Average Mass	472.629
Monoisotopic Mass	472.27259
SMILES	[H][C@@]12CC[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
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

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 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 Relation(s)
	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	Source
(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
(+)-cortistatin A	ChEBI

Registry Numbers	Sources
Reaxys:10502377	Reaxys

Citations