Summary

IMPPAT Phytochemical identifier: IMPHY006433

Phytochemical name: Normorphine

Synonymous chemical names:
normorphine

External chemical identifiers:
CID:5462508, ChEMBL:CHEMBL1227, ChEBI:7633, ZINC:ZINC000004102208, FDASRS:XUI1Y24IMI, SureChEMBL:SCHEMBL26387

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Chemical structure information

SMILES:
O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O

InChI:
InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1

InChIKey:
ONBWJWYUHXVEJS-ZTYRTETDSA-N

DeepSMILES:
O[C@H]C=C[C@@H][C@][C@H]6Occ5cC[C@H]9NCC%11)))))ccc6O

Functional groups:
CC=CC, CNC, CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

Scaffold Graph/Node level:
C1CC2CC3NCCC45C(CCCC34)OC(C1)C25

Scaffold Graph level:
C1CC2CC3CCCC45C(CCCC34)CC(C1)C25

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Morphinans

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Morphinan alkaloids

NP-Likeness score: 2.743

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Chemical structure download