Summary

IMPPAT Phytochemical identifier: IMPHY014889

Phytochemical name: Murrayazoline

Synonymous chemical names:
curryangine, mahanimbidine, murrayazoline

External chemical identifiers:
CID:21770913, ChEMBL:CHEMBL524719, ZINC:ZINC000005553014

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Chemical structure information

SMILES:
Cc1cc2c3ccccc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@@H]2C1)C3(C)C

InChI:
InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1

InChIKey:
YPSWCORASQDCJM-MFEFFIJZSA-N

DeepSMILES:
Cccccccccc6nc9cc%13O[C@@]C)CC[C@H][C@@H]8C6))C%10C)C

Functional groups:
cOC, cn(c)C

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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: 1.76

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Chemical structure download