Summary

IMPPAT Phytochemical identifier: IMPHY002332

Phytochemical name: Vincamajoreine

Synonymous chemical names:
vincamajoreine

Chemical structure information

SMILES:
C/C=C1/CN2[C@@H]3C4[C@H]1C[C@H]2[C@H]1[C@@]([C@@H]4O)(C3)c2c(N1C)ccc(c2)OC

InChI:
InChI=1S/C21H26N2O2/c1-4-11-10-23-16-8-13(11)18-17(23)9-21(20(18)24)14-7-12(25-3)5-6-15(14)22(2)19(16)21/h4-7,13,16-20,24H,8-10H2,1-3H3/b11-4-/t13-,16-,17-,18?,19-,20+,21+/m0/s1

InChIKey:
QFJCZEAKZSDBCK-FODOJFLHSA-N

DeepSMILES:
C/C=C/CN[C@@H]C[C@H]/6C[C@H]6[C@H][C@@][C@@H]7O))C8)ccN5C))cccc6)OC

Functional groups:
C/C=C(/C)C, CN(C)C, CO, cN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15

Scaffold Graph/Node level:
CC1CN2C3CC45CC3C1CC2C4NC1CCCCC15

Scaffold Graph level:
CC1CC2C3CC45CC3C1CC2C4CC1CCCCC15

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Ajmaline-sarpagine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.209

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Chemical structure download