Summary

IMPPAT Phytochemical identifier: IMPHY003258

Phytochemical name: Elaeocarpidine

Synonymous chemical names:
elaeocarpidine

External chemical identifiers:
CID:355436, ChEBI:4765

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Chemical structure information

SMILES:
C1CN2[C@H](C1)N1CCc3c([C@@H]1CC2)[nH]c1c3cccc1

InChI:
InChI=1S/C17H21N3/c1-2-5-14-12(4-1)13-7-11-20-15(17(13)18-14)8-10-19-9-3-6-16(19)20/h1-2,4-5,15-16,18H,3,6-11H2/t15-,16-/m0/s1

InChIKey:
MQDDWIVNNZPOCB-HOTGVXAUSA-N

DeepSMILES:
CCN[C@H]C5)NCCcc[C@@H]6CC%10)))[nH]cc5cccc6

Functional groups:
C[C@@H](N(C)C)N(C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CCN2CCCC2N1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2C1CCN1CCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.261

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Chemical structure download