Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012796

Phytochemical name: Currayanine

Synonymous chemical names:
murrayazolidine (cyclomahanimbine), Cyclomahanimbine, Murrayazolidine, murrayazolidine, Curryanine, curryanine, cyclomahanimbine

External chemical identifiers:
CID:CID_375144, ChEMBL:CHEMBL1973644

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Chemical structure information

SMILES:
CC(=C)C1CCC2(CC1c1c(O2)c(C)cc2c1[nH]c1c2cccc1)C

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

InChIKey:
KXNHNLQCCJZSEK-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC6ccO6)cC)ccc6[nH]cc5cccc6)))))))))))))))C

Functional groups:
c[nH]c, C=C(C)C, cOC

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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: 2.031

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Chemical structure download