Summary

IMPPAT Phytochemical identifier: IMPHY005684

Phytochemical name: Pseudomorphine

Synonymous chemical names:
oxydimorphine

External chemical identifiers:
CID:234570, ChEBI:169477

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Chemical structure information

SMILES:
CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(c(c1)c1cc2CC3N(C)CCC45c2c(c1O)OC4C(O)C=CC35)O

InChI:
InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3

InChIKey:
FOJYFDFNGPRXDR-UHFFFAOYSA-N

DeepSMILES:
CNCCCCC6Ccc6cOC9CC=C%11))O))))ccc6)cccCCNC)CCCc8cc%12O))OC5CO)C=CC%139))))))))))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3Cc4cc(-c5cc6c7c(c5)OC5CC=CC8C(C6)NCCC758)cc5c4C2(CCN3)C(C1)O5

Scaffold Graph/Node level:
C1CC2OC3CC(C4CC5CC6NCCC78C(CCCC67)OC(C4)C58)CC4CC5NCCC2(C5C1)C43

Scaffold Graph level:
C1CC2CC3CC(C4CC5CC6CCCC78C(CCCC67)CC(C4)C58)CC4CC5CCCC2(C5C1)C43

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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: Morphinan alkaloids

NP-Likeness score: 1.351

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Chemical structure download