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CHEBI:28051 - veratridine

ChEBI IDCHEBI:28051
ChEBI Nameveratridine
Stars
Secondary ChEBI IDsCHEBI:9952, CHEBI:27281
Last Modified3 August 2014
DownloadsMolfile
FormulaC36H51NO11
Net Charge0
Average Mass673.800
Monoisotopic Mass673.34621
SMILES[H][C@@]12CC[C@@]3([H])[C@]4(C)CC[C@H](OC(=O)c5ccc(OC)c(OC)c5)[C@@]3(O)O[C@]14C[C@@]1(O)[C@]3([H])CN4C[C@@H](C)CC[C@@]4([H])[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@@]21O
InChIInChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKeyFVECELJHCSPHKY-YFUMOZOISA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
veratridine (CHEBI:28051) has functional parent cevane (CHEBI:35651)
veratridine (CHEBI:28051) has role sodium channel modulator (CHEBI:39000)
veratridine (CHEBI:28051) is a steroid (CHEBI:35341)
IUPAC Name 
4β,12,14,16β,17,20-hexahydroxy-4α,9-epoxycevan-3β-yl 3,4-dimethoxybenzoate
Synonyms  Source
VeratridineKEGG COMPOUND
VeratrineChemIDplus
veratridinChEBI
Manual XrefsDatabases
C06544KEGG COMPOUND
C00029202KNApSAcK
Registry NumbersSources
Beilstein:78875Beilstein
CAS:71-62-5KEGG COMPOUND
CAS:71-62-5ChemIDplus