Summary

IMPPAT Phytochemical identifier: IMPHY014515

Phytochemical name: Supinidine methyl ether

Synonymous chemical names:
supinidine methyl ether

External chemical identifiers:
CID:91753264, ZINC:ZINC000014718736

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Chemical structure information

SMILES:
COCC1=CCN2[C@H]1CCC2

InChI:
InChI=1S/C9H15NO/c1-11-7-8-4-6-10-5-2-3-9(8)10/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1

InChIKey:
GINGABFMWWPYLM-VIFPVBQESA-N

DeepSMILES:
COCC=CCN[C@H]5CCC5

Functional groups:
CC=C(C)C, CN(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 1.139

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Chemical structure download