Summary

IMPPAT Phytochemical identifier: IMPHY010746

Phytochemical name: Stemoamide

Synonymous chemical names:
stemoamide

Chemical structure information

SMILES:
C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H]1CCC(=O)N1CCC2

InChI:
InChI=1S/C12H17NO3/c1-7-11-8-4-5-10(14)13(8)6-2-3-9(11)16-12(7)15/h7-9,11H,2-6H2,1H3/t7-,8-,9+,11+/m0/s1

InChIKey:
MIHPYTYSLJCWQU-WYOJIJJFSA-N

DeepSMILES:
C[C@@H]C=O)O[C@H][C@H]5[C@@H]CCC=O)N5CCC%10

Functional groups:
CC(=O)N(C)C, CC(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C(CCCN3C(=O)CCC23)O1

Scaffold Graph/Node level:
OC1CC2C(CCCN3C(O)CCC23)O1

Scaffold Graph level:
CC1CC2CCCC3C(C)CCC3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Stemona alkaloids

ClassyFire Subclass: Stemoamide-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Stemona alkaloids

NP-Likeness score: 1.792

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Chemical structure download