CHEBI:3156 - Borreverine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Borreverine
ChEBI ID CHEBI:3156
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H40N4
Net Charge 0
Average Mass 480.688
Monoisotopic Mass 480.32530
InChI InChI=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
InChIKey PHMBUGRSZKDHNS-QGEDZZHQSA-N
SMILES CNCCc1c([nH]c2ccccc12)[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C
ChEBI Ontology
Outgoing Borreverine (CHEBI:3156) is a pyrroloindole (CHEBI:48133)
Synonym Source
Borreverine KEGG COMPOUND
Manual Xrefs Databases
C00001693 KNApSAcK
C09082 KEGG COMPOUND
View more database links
Registry Number Type Source
51109-65-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014