Summary

IMPPAT Phytochemical identifier: IMPHY013675

Phytochemical name: Mahanimbinine

Synonymous chemical names:
mahanimbinine

External chemical identifiers:
CID:131750980

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Chemical structure information

SMILES:
Cc1cc2c(c3c1OC(C)(CCCC(O)(C)C)C=C3)[nH]c1c2cccc1

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

InChIKey:
ZMSFODUWJLWJOE-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6OCC)CCCCO)C)C)))))C=C6))))))[nH]cc5cccc6

Functional groups:
CO, cC=CC, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 2.162

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Chemical structure download