EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3156 - Borreverine

ChEBI IDCHEBI:3156
ChEBI NameBorreverine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H40N4
Net Charge0
Average Mass480.700
Monoisotopic Mass480.32530
SMILES[H][C@]12C=C(C)CC(C)(C)[C@]1([H])[C@@]([H])(c1nc3ccccc3c1CCNC)[C@]13CCN(C)[C@]21Nc1ccccc13
InChIInChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1
InChIKeyPHMBUGRSZKDHNS-QGEDZZHQSA-N
ChEBI Ontology
Outgoing Relation(s)
Borreverine (CHEBI:3156) is a pyrroloindole (CHEBI:48133)
Synonym  Source
BorreverineKEGG COMPOUND
Manual XrefsDatabases
C09082KEGG COMPOUND
C00001693KNApSAcK
Registry NumbersSources
CAS:51109-65-0KEGG COMPOUND