Summary

IMPPAT Phytochemical identifier: IMPHY002784

Phytochemical name: Norpallidine

Synonymous chemical names:
norpallidine

External chemical identifiers:
CID:101316818, ZINC:ZINC000015216576

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Chemical structure information

SMILES:
COC1=C[C@@]23CCN[C@@H](C2=CC1=O)Cc1c3cc(OC)c(c1)O

InChI:
InChI=1S/C18H19NO4/c1-22-16-8-11-10(6-14(16)20)5-13-12-7-15(21)17(23-2)9-18(11,12)3-4-19-13/h6-9,13,19-20H,3-5H2,1-2H3/t13-,18-/m1/s1

InChIKey:
UAILJXHNUWQNKQ-FZKQIMNGSA-N

DeepSMILES:
COC=C[C@@]CCN[C@@H]C6=CC%10=O))))Ccc8ccOC))cc6)O

Functional groups:
CNC, COC1=CCC(C)=CC1=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC23CCNC(Cc4ccccc42)C3=C1

Scaffold Graph/Node level:
OC1CCC23CCNC(CC4CCCCC42)C3C1

Scaffold Graph level:
CC1CCC23CCCC(CC4CCCCC42)C3C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Morphinan alkaloids

NP-Likeness score: 2.477

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Chemical structure download