Summary

IMPPAT Phytochemical identifier: IMPHY001366

Phytochemical name: Phygrine

Synonymous chemical names:
phygrine, phygrine(bis-hygrine)

External chemical identifiers:
CID:10265686

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Chemical structure information

SMILES:
O=C(CC1CCCN1C)CC1CCC(N1C)CC(=O)C

InChI:
InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3

InChIKey:
UBFAEXSSMSJTQV-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCN5C)))))))CCCCCN5C))CC=O)C

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: 0.926

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Chemical structure download