Summary

IMPPAT Phytochemical identifier: IMPHY006673

Phytochemical name: Vinburnine

Synonymous chemical names:
eburnamonine, vinburnine

External chemical identifiers:
CID:71203, ChEMBL:CHEMBL1892145, ChEBI:4740, ZINC:ZINC000019796061, FDASRS:64UB2942IE, SureChEMBL:SCHEMBL456385, MolPort-001-742-589

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Chemical structure information

SMILES:
CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1

InChI:
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1

InChIKey:
WYJAPUKIYAZSEM-MOPGFXCFSA-N

DeepSMILES:
CC[C@@]CCCN[C@@H]6cnC=O)C%10))ccc5CC9)))cccc6

Functional groups:
CN(C)C, cn(c)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCN3CCc4c(n1c1ccccc41)C23

Scaffold Graph/Node level:
OC1CC2CCCN3CCC4C5CCCCC5N1C4C23

Scaffold Graph level:
CC1CC2CCCC3CCC4C5CCCCC5C1C4C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Eburnan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 0.894

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Chemical structure download