Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010758

Phytochemical name: Kurchaline

Synonymous chemical names:
Kurchaline, kurchaline

External chemical identifiers:
CID:CID_5318883

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Chemical structure information

SMILES:
C/C=C/1\C(O)CC2C1(C)CCC1C2CC=C2C1(C)CC(O)C(C2)N(C)C

InChI:
InChI=1S/C23H37NO2/c1-6-16-20(25)12-18-15-8-7-14-11-19(24(4)5)21(26)13-23(14,3)17(15)9-10-22(16,18)2/h6-7,15,17-21,25-26H,8-13H2,1-5H3/b16-6+

InChIKey:
LWZNDYKDUGVSBN-OMCISZLKSA-N

DeepSMILES:
C/C=C\CO)CCC\5C)CCCC6CC=CC6C)CCO)CC6)NC)C

Functional groups:
C/C=C(\C)C, CO, CC=C(C)C, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C1CCC1C3CCCCC3=CCC21

Scaffold Graph/Node level:
CC1CCC2C1CCC1C3CCCCC3CCC21

Scaffold Graph level:
CC1CCC2C1CCC1C3CCCCC3CCC21

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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: Androstane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Pregnane steroids

NP-Likeness score: 2.781

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Chemical structure download