Summary

IMPPAT Phytochemical identifier: IMPHY005347

Phytochemical name: Chonemorphine dihydrochloride

Synonymous chemical names:
chonemorphine dihydrochloride

External chemical identifiers:
CID:185434

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Chemical structure information

SMILES:
N[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C.Cl.Cl

InChI:
InChI=1S/C23H42N2.2ClH/c1-15(25(4)5)19-8-9-20-18-7-6-16-14-17(24)10-12-22(16,2)21(18)11-13-23(19,20)3;;/h15-21H,6-14,24H2,1-5H3;2*1H/t15-,16-,17-,18-,19+,20-,21-,22-,23+;;/m0../s1

InChIKey:
JLJIGVDIYQZJBL-AICXAXPFSA-N

DeepSMILES:
N[C@H]CC[C@][C@H]C6)CC[C@@H][C@@H]6CC[C@][C@H]6CC[C@@H]5[C@@H]NC)C))C))))))C)))))))))C.Cl.Cl

Functional groups:
CN, CN(C)C, Cl

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Azasteroids and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Pregnane steroids

NP-Likeness score: 2.041

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Chemical structure download