Summary

IMPPAT Phytochemical identifier: IMPHY008970

Phytochemical name: Conamine

Synonymous chemical names:
conamine

Chemical structure information

SMILES:
N[C@H]1CCC2(C(=CCC3C2CCC24C3CCC4C(N(C2)C)C)C1)C

InChI:
InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23)8-10-21(15,2)19(17)9-11-22(18,20)13-24(14)3/h4,14,16-20H,5-13,23H2,1-3H3/t14?,16-,17?,18?,19?,20?,21?,22?/m0/s1

InChIKey:
MDZRHDNUSKCTSP-MLCXWSTKSA-N

DeepSMILES:
N[C@H]CCCC=CCCC6CCCC6CCC5CNC8)C))C)))))))))))))C6))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC34CNCC3CCC4C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC23CCCC2CCC13

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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: Steroidal alkaloids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Steroids, Pseudoalkaloids

NP Classifier Class: Pregnane steroids, Steroidal alkaloids

NP-Likeness score: 2.731

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Chemical structure download