Summary

IMPPAT Phytochemical identifier: IMPHY006509

Phytochemical name: Pseudomerucathine

Synonymous chemical names:
pseudomerucathine

External chemical identifiers:
CID:5459036

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Chemical structure information

SMILES:
O[C@H]([C@@H](N)C)/C=C/c1ccccc1

InChI:
InChI=1S/C11H15NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9,11,13H,12H2,1H3/b8-7+/t9-,11-/m0/s1

InChIKey:
MSCXFOZFDVCLHC-QARYBLBWSA-N

DeepSMILES:
O[C@H][C@@H]N)C))/C=C/cccccc6

Functional groups:
CN, CO, c/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamyl alcohols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: 0.959

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Chemical structure download