Summary

IMPPAT Phytochemical identifier: IMPHY006797

Phytochemical name: Clausenatine A

Synonymous chemical names:
mukoenine b

External chemical identifiers:
CID:131752937, ZINC:ZINC000014610478

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Chemical structure information

SMILES:
O=Cc1cc2c(c(c1O)C/C=C(CCC=C(C)C)/C)[nH]c1c2cccc1

InChI:
InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-

InChIKey:
HYKYGURKMDNXGG-WJDWOHSUSA-N

DeepSMILES:
O=Ccccccc6O))C/C=CCCC=CC)C)))))/C)))))[nH]cc5cccc6

Functional groups:
C/C=C(C)C, CC=C(C)C, cC=O, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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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: 1.788

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Chemical structure download