Cinchonine
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Formula: C19H22N2O
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Molecular weight: 294.40
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Smiles: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
Cinchonine
Names
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Mycotoxin name: Cinchonine
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First synonym: Cinchonine
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Synonyms: cinchonine,118-10-5,(+)-Cinchonine,D-Cinchonine,Cinchonan-9-ol, (9S)-,(8R,9S)-Cinchonine,(9S)-Cinchonan-9-ol,(+)-Cinconine,TCMDC-123933,cinchonin,UNII-V43X79NZCD,(+)-cinchonin,GNF-Pf-3189,MFCD00064372,V43X79NZCD,CHEBI:27509,(1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol,(S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol,NSC6176,.alpha.-Quinidine,(S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol,2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-,(+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol,NSC-6176,NSC 6176,EINECS 204-234-6,CINCHORINE,AI3-09058,Prestwick3_000608,2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-,(+)-Cinchonine, 85%,(+)-Cinchonine; >99%,BSPBio_000516,MLS002153907,SCHEMBL158394,alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol,2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-,BPBio1_000568,CHEMBL588619,MEGxp0_001905,DTXSID6045082,ACon0_001352,ACon1_000336,HMS2096J18,HMS2235N18,HY-Y0152,ZINC3881680,(+)-Cinchonine, analytical standard,BDBM50370411,AKOS015895982,EBD2201796,LA40221,NCGC00169174-01,NCGC00169174-02,NCGC00262542-03,DS-15267,NCI60_005298,SMR001233256,Cinchonine, crystallized, >=98.0% (NT),AB00374715,CS-0008420,O10016,WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1,Q2972710,BRD-K90268819-001-03-4,2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-,NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol,(S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol,(S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol,(S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol
Identifiers / External links
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CAS: 118-10-5,001-03-4
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PubChem CID: 90454
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DSS TOX CID: DTXCID801474963
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ChemSpiderID: 2655
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ChEMBL: CHEMBL588619,CHEMBL158394
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US FDA (UNII): UNII-V43X79NZCD
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Wikidata (wiki): Q2972710
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Chemical Entities of Biological Interest (CHEBI): CHEBI:27509
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CompTox Chemicals Dashboard (DTXSID): DTXSID6045082
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SCHEMBL: SCHEMBL158394
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TOX21 samples 2:Tox21_110009
Structure
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Smiles: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
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Isomeric smiles: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
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Inchi: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
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Inchikey: KMPWYEUPVWOPIM-QAMTZSDWSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H22N2O
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Molecular weight: 294.40
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Monoisotopic mass: 294.17321333
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Fungi
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Fungi id Species 431 Diaporthe sp. CLF-J