Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012816

Phytochemical name: Murrayazolinol

Synonymous chemical names:
murrayazolinol, Murrayazolinol

External chemical identifiers:
CID:CID_180314

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Chemical structure information

SMILES:
Cc1cc2c3ccccc3n3c2c2c1OC1(C)CC2C(C3(C)C)CC1O

InChI:
InChI=1S/C23H25NO2/c1-12-9-14-13-7-5-6-8-17(13)24-20(14)19-15-11-23(4,26-21(12)19)18(25)10-16(15)22(24,2)3/h5-9,15-16,18,25H,10-11H2,1-4H3

InChIKey:
SIYXICWJEWHFMI-UHFFFAOYSA-N

DeepSMILES:
Cccccccccc6nc9cc%13OCC)CC6CC%10C)C))CC6O

Functional groups:
CO, cn(c)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1ccc3c4c1n2CC1CCC(CC41)O3

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCC3OC4CCC5CN2C1C3C5C4

Scaffold Graph level:
C1CCC2C(C1)C1CCC3CC4CCC5CC2C1C3C5C4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.627

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Chemical structure download