Summary

IMPPAT Phytochemical identifier: IMPHY005929

Phytochemical name: gamma-Isomorphine

Synonymous chemical names:
pseudomorphine

External chemical identifiers:
CID:5486608, FDASRS:QSF4R6CR12

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Chemical structure information

SMILES:
O[C@H]1C=C[C@H]2[C@]34[C@@H]1[C@@H](Cc1c4c(O2)c(cc1)O)N(C)CC3

InChI:
InChI=1S/C17H19NO3/c1-18-7-6-17-13-5-4-11(19)15(17)10(18)8-9-2-3-12(20)16(21-13)14(9)17/h2-5,10-11,13,15,19-20H,6-8H2,1H3/t10-,11+,13+,15-,17-/m1/s1

InChIKey:
NJMOXXXFTFWKLU-ZKRLBSCHSA-N

DeepSMILES:
O[C@H]C=C[C@H][C@@][C@@H]6[C@@H]Ccc6cO9)ccc6))O))))))NC)CC6

Functional groups:
CC=CC, CN(C)C, CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2Oc3cccc4c3C23CCNC(C4)C3C1

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: 2.381

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Chemical structure download