Summary

IMPPAT Phytochemical identifier: IMPHY012663

Phytochemical name: Cuscohygrine

Synonymous chemical names:
cuscohygrine, meso-cuscohygrine

External chemical identifiers:
CID:1201543, ChEBI:27920, ZINC:ZINC000000968237, FDASRS:93FJ3823VL, SureChEMBL:SCHEMBL336171

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Chemical structure information

SMILES:
O=C(C[C@@H]1CCCN1C)C[C@H]1CCCN1C

InChI:
InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12+

InChIKey:
ZEBIACKKLGVLFZ-TXEJJXNPSA-N

DeepSMILES:
O=CC[C@@H]CCCN5C)))))))C[C@H]CCCN5C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCCN1)CC1CCCN1

Scaffold Graph/Node level:
OC(CC1CCCN1)CC1CCCN1

Scaffold Graph level:
CC(CC1CCCC1)CC1CCCC1

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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: Pyrrolidine alkaloids

NP-Likeness score: 0.296

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Chemical structure download