Summary

IMPPAT Phytochemical identifier: IMPHY010861

Phytochemical name: Tecomine

Synonymous chemical names:
tecomanine, tecomine

External chemical identifiers:
CID:442553, ChEBI:9424, FDASRS:MI229I6Q2X, SureChEMBL:SCHEMBL546601

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Chemical structure information

SMILES:
CN1C[C@H](C)C2=CC(=O)[C@H]([C@@H]2C1)C

InChI:
InChI=1S/C11H17NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10H,5-6H2,1-3H3/t7-,8-,10-/m0/s1

InChIKey:
QGCAKXUASFKRJA-NRPADANISA-N

DeepSMILES:
CNC[C@H]C)C=CC=O)[C@H][C@@H]5C9))C

Functional groups:
CC1=CC(=O)CC1, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCNCC2C1

Scaffold Graph/Node level:
OC1CC2CCNCC2C1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 2.029

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Chemical structure download