Summary

IMPPAT Phytochemical identifier: IMPHY007277

Phytochemical name: Mucronatinine

Synonymous chemical names:
mucronatinine

External chemical identifiers:
CID:91750128

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Chemical structure information

SMILES:
C/C=C1/C[C@@H](C)[C@](O)(CC)C(=O)OCC2=CCN3C2[C@H](OC1=O)CC3

InChI:
InChI=1S/C19H27NO5/c1-4-13-10-12(3)19(23,5-2)18(22)24-11-14-6-8-20-9-7-15(16(14)20)25-17(13)21/h4,6,12,15-16,23H,5,7-11H2,1-3H3/b13-4-/t12-,15-,16?,19-/m1/s1

InChIKey:
FPRDBFWVOJWDMI-RRPBREJRSA-N

DeepSMILES:
C/C=C/C[C@@H]C)[C@]O)CC))C=O)OCC=CCNC5[C@H]OC/%15=O)))CC5

Functional groups:
C/C=C(/C)C(=O)OC, CC=C(C)C, CN(C)C, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

Scaffold Graph/Node level:
CC1CCCC(O)OCC2CCN3CCC(OC1O)C23

Scaffold Graph level:
CC1CCCC(C)C(C)CC2CCC3CCC(CC1)C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 2.671

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Chemical structure download