Summary

IMPPAT Phytochemical identifier: IMPHY000475

Phytochemical name: Kurchiline

Synonymous chemical names:
kurchiline

Chemical structure information

SMILES:
CN([C@@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1O)C)CC[C@]1([C@H]3CC[C@@H]1C(=O)C)C)C

InChI:
InChI=1S/C23H39NO2/c1-14(25)17-8-9-18-16-7-6-15-12-20(24(4)5)21(26)13-23(15,3)19(16)10-11-22(17,18)2/h15-21,26H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21+,22+,23-/m0/s1

InChIKey:
GJSNFPYLOSEROJ-PWFQONRBSA-N

DeepSMILES:
CN[C@@H]C[C@@H]CC[C@@H][C@@H][C@]6C[C@H]%10O)))C))CC[C@][C@H]6CC[C@@H]5C=O)C))))))C)))))))))))C

Functional groups:
CC(C)=O, CN(C)C, CO

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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: Pregnane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Pregnane steroids

NP-Likeness score: 2.118

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Chemical structure download