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neriifolin
A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > toxin [CHEBI:27026] > neriifolin [CHEBI:7522]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 toxin [CHEBI:27026] (45) 
 neriifolin [CHEBI:7522] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 protective agent [CHEBI:50267] (74) 
 neuroprotective agent [CHEBI:63726] (30) 
 neriifolin [CHEBI:7522] (1)
 cardiovascular drug [CHEBI:35554] (162) 
 cardiotonic drug [CHEBI:38147] (19) 
 neriifolin [CHEBI:7522] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 neriifolin [CHEBI:7522] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 neriifolin [CHEBI:7522] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 neriifolin [CHEBI:7522] (1)
ChEBI Compound Accession Identifier  [CHEBI:7522]
ChEBI Compound Description  A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.
ChEBI Compound Identification Number  7522
ChEBI InChI Value  InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1
ChEBI InChIKey Value  VPUNMTHWNSJUOG-BAOINKAISA-N
ChEBI Compound Name  neriifolin
ChEBI SMILES Value  [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O
ChEBI Substance ID  24434810
ChEBI URL  ChEBI:7522
ChemSpider ID  390443
Ontomatica Chemical Accession Key (OnChAKey)  VPUNMTHWNSJUOG_BAOINKAISA_N_000_000000
PubChem Compound ID  441867