CHEBI:5741 - Hodgkinsine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hodgkinsine
ChEBI ID CHEBI:5741
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H38N6
Net Charge 0
Average Mass 518.696
Monoisotopic Mass 518.31580
InChI InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1
InChIKey DPVWJPVYOXKFRQ-BDMNMGLZSA-N
SMILES CN1CC[C@]2([C@@H]1Nc1ccccc21)c1cccc2c1N[C@@H]1N(C)CC[C@]21[C@@]12CCN(C)[C@@H]1Nc1ccccc21
ChEBI Ontology
Outgoing Hodgkinsine (CHEBI:5741) is a pyrroloindole (CHEBI:48133)
Synonym Source
Hodgkinsine KEGG COMPOUND
Manual Xrefs Databases
C00001738 KNApSAcK
C09211 KEGG COMPOUND
View more database links
Registry Number Type Source
18210-71-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014