Summary

IMPPAT Phytochemical identifier: IMPHY003462

Phytochemical name: Hygrine

Synonymous chemical names:
hygrine

External chemical identifiers:
CID:440933, ChEBI:46750, ZINC:ZINC000000967784, FDASRS:49H1LNM62X, SureChEMBL:SCHEMBL335689

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Chemical structure information

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

InChI:
InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1

InChIKey:
ADKXZIOQKHHDNQ-MRVPVSSYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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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: 0.679

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Chemical structure download