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CHEBI:193011 - dehydroechinulin

ChEBI IDCHEBI:193011
ChEBI Namedehydroechinulin
Stars
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H37N3O2
Net Charge0
Average Mass459.634
Monoisotopic Mass459.28858
SMILESC=CC(C)(C)c1nc2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=C1/NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-16,19,32H,1,12-13H2,2-8H3,(H,30,34)(H,31,33)/b24-16+/t19-/m0/s1
InChIKeyNVZHTXBVXJVJTP-JWGRYVKWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
dehydroechinulin (CHEBI:193011) is a 2,5-diketopiperazines (CHEBI:65061)
UniProt Name  Source
dehydroechinulinUniProt
Citations