Summary

IMPPAT Phytochemical identifier: IMPHY010748

Phytochemical name: Ochrolifuanine E

Synonymous chemical names:
ochrolifuanine e

Chemical structure information

SMILES:
CC[C@H]1CN2CCC3C([C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1c2cccc1)Nc1c3cccc1

InChI:
InChI=1S/C29H36N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-10,18-19,23,26-27,29-32H,2,11-17H2,1H3/t18-,19-,23?,26-,27+,29?/m0/s1

InChIKey:
WPRCHZNIQPXBQO-QTZZMGCWSA-N

DeepSMILES:
CC[C@H]CNCCCC[C@H]6C[C@@H]%10C[C@@H]NCCcc6[nH]cc5cccc6)))))))))))))))))Ncc5cccc6

Functional groups:
CN(C)C, CNC, cNC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC1C2CCN2CCC(CC3NCCc4c3[nH]c3ccccc43)CC12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C(CC3CCN4CCC5C6CCCCC6NC5C4C3)NCCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C(CC3CCC4CCC5C6CCCCC6CC5C4C3)CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.217

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Chemical structure download