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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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NTR: cortistatins #2532

Closed muthuvenkat closed 8 years ago

muthuvenkat commented 12 years ago

Priority: Low (1)

See: http://en.wikipedia.org/wiki/Cortistatins

isa: steroid alkaloid (CHEBI:26767)

IUPACName = (1''R'',2''R'',3''S'',5''R'',8β,17β)-3-(Dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2-diol PubChem = 11561907 SMILES = C[C@]12CC=C3C=C4C@HN(C)C)O)O InChI = 1/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-DZBMUNJRBJ

Reported by: cmungall

muthuvenkat commented 12 years ago

Hi Chris,

We now have: cortistatin A (CHEBI:67171) is_a cortistatins (CHEBI:67169). cortistatins (CHEBI:67169) is classified as: is_a polycyclic ether (CHEBI:36468); is_a steroid alkaloid (CHEBI:26767); is_a tertiary amino compound (CHEBI:50996); and has_role anti-angiogenic agent (CHEBI:67170). The new entries will become public with the nest release of ChEBI, scheduled for 3rd September.

Regards, Gareth

Original comment by: G-Owen

muthuvenkat commented 12 years ago

Original comment by: G-Owen