EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175780 - Hovenine A

ChEBI IDCHEBI:175780
ChEBI NameHovenine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N4O4
Net Charge0
Average Mass486.657
Monoisotopic Mass486.32061
SMILESCCC(C)C(NC)C(=O)NC1C(=O)NC(CC(C)C)C(=O)N/C=C\c2ccc(cc2)OC1C(C)C
InChIInChI=1S/C27H42N4O4/c1-8-18(6)22(28-7)26(33)31-23-24(17(4)5)35-20-11-9-19(10-12-20)13-14-29-25(32)21(15-16(2)3)30-27(23)34/h9-14,16-18,21-24,28H,8,15H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)/b14-13-
InChIKeyARFZEJYVBXGWDN-YPKPFQOOSA-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)
Hovenine A (CHEBI:175780) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-methyl-2-(methylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Manual XrefsDatabases
4476718ChemSpider
HMDB0030200HMDB