Summary

IMPPAT Phytochemical identifier: IMPHY000248

Phytochemical name: Murrayazolinine

Synonymous chemical names:
murrayazolinine

External chemical identifiers:
CID:101856126

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Chemical structure information

SMILES:
Cc1cc2c(c3c1OC1(C)CCC(C3C1)C(O)(C)C)[nH]c1c2cccc1

InChI:
InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,26-21(13)19)10-9-17(16)22(2,3)25/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3

InChIKey:
VAFPWCIGDGFJNB-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6OCC)CCCC8C6))CO)C)C)))))))))[nH]cc5cccc6

Functional groups:
CO, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1c3c(ccc12)OC1CCCC3C1

Scaffold Graph/Node level:
C1CC2CC(C1)C1C(CCC3C4CCCCC4NC31)O2

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2CC3CCCC(C3)C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.916

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Chemical structure download