Summary

IMPPAT Phytochemical identifier: IMPHY009604

Phytochemical name: Dihydroferuperine

Synonymous chemical names:
dihydroferuperine

External chemical identifiers:
CID:131752910, ChEBI:174060

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Chemical structure information

SMILES:
COC1=CC(=CCC1O)/C=CC=CC(=O)N1CCCCC1

InChI:
InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+

InChIKey:
PUYWOMGLUNDEFM-KYPMKJFLSA-N

DeepSMILES:
COC=CC=CCC6O))))/C=CC=CC=O)NCCCCC6

Functional groups:
CO, COC1=CC(/C=CC=CC(=O)N(C)C)=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=CC=CC1=CCCC=C1)N1CCCCC1

Scaffold Graph/Node level:
OC(CCCCC1CCCCC1)N1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

ClassyFire Subclass: N-acylpiperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 1.053

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Chemical structure download