Summary

IMPPAT Phytochemical identifier: IMPHY011424

Phytochemical name: Eburnamine

Synonymous chemical names:
isoeburnamine

External chemical identifiers:
CID:101699, ChEBI:4739, ZINC:ZINC000005955089, SureChEMBL:SCHEMBL3683905

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Chemical structure information

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

InChI:
InChI=1S/C19H24N2O/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/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m1/s1

InChIKey:
HONLKDDLTAZVQV-NZSAHSFTSA-N

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

Functional groups:
CN(C)C, CO, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1c3n2CCC2CCCN(CC1)C32

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43

Scaffold Graph level:
C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34

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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: 1.386

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Chemical structure download