Summary

IMPPAT Phytochemical identifier: IMPHY008452

Phytochemical name: Isolycopsamine

Synonymous chemical names:
isolycopsamine

External chemical identifiers:
CID:442740, ChEBI:6024

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Chemical structure information

SMILES:
OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)[C@]([C@H](O)C)(C(C)C)O

InChI:
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)18)14(19)21-12-5-7-16-6-4-11(8-17)13(12)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15-/m1/s1

InChIKey:
OMMHYUSJYAJBDU-BPGGGUHBSA-N

DeepSMILES:
OCC=CCN[C@H]5[C@@H]CC5))OC=O)[C@][C@H]O)C))CC)C))O

Functional groups:
CC=C(C)C, CN(C)C, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 2.047

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Chemical structure download