Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010727

Phytochemical name: Kurchine

Synonymous chemical names:
norconessine, kurchine, Kurchine, isoconessimine, iso-conessimine, nor-conessine, Isoconessimine

External chemical identifiers:
CID:CID_551434, SureChEMBL:SCHEMBL2477158

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Chemical structure information

SMILES:
CNC1CCC2(C(=CCC3C2CCC24C3CCC4C(N(C2)C)C)C1)C

InChI:
InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3

InChIKey:
UBWOPONWVXRTKE-UHFFFAOYSA-N

DeepSMILES:
CNCCCCC=CCCC6CCCC6CCC5CNC8)C))C)))))))))))))C6))C

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

NP Classifier Class: Steroidal alkaloids

NP-Likeness score: 2.615

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Chemical structure download