Summary

IMPPAT Phytochemical identifier: IMPHY009284

Phytochemical name: Isooncodine(azafluorene alkaloids)

Synonymous chemical names:
isooncodine(azafluorene alkaloids)

External chemical identifiers:
CID:5487241

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Chemical structure information

SMILES:
COC1=CC2=C3NC=CC(=C3C(=O)C2=CC1=O)C

InChI:
InChI=1S/C14H11NO3/c1-7-3-4-15-13-8-6-11(18-2)10(16)5-9(8)14(17)12(7)13/h3-6,15H,1-2H3

InChIKey:
SQANFQYDLCUUNK-UHFFFAOYSA-N

DeepSMILES:
COC=CC=CNC=CC=C6C=O)C9=CC%13=O))))))C

Functional groups:
COC1=CC2=C3NC=CC(C)=C3C(=O)C2=CC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=C3NC=CC=C3C(=O)C2=C1

Scaffold Graph/Node level:
OC1CCC2C(C1)C(O)C1CCCNC12

Scaffold Graph level:
CC1CCC2C(C1)C(C)C1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 2.193

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Chemical structure download