Summary

IMPPAT Phytochemical identifier: IMPHY005074

Phytochemical name: Mahanimbine

Synonymous chemical names:
mahanimbine

External chemical identifiers:
CID:167963, ChEMBL:CHEMBL495873, ChEBI:6646, SureChEMBL:SCHEMBL2991765, MolPort-005-945-813

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Chemical structure information

SMILES:
CC(=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cccc2)C

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

InChIKey:
HTNVFUBCWIYPJN-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC)C=CccO6)cC)ccc6[nH]cc5cccc6)))))))))))))))))))C

Functional groups:
CC=C(C)C, 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: 2.478

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Chemical structure download