Summary

IMPPAT Phytochemical identifier: IMPHY001036

Phytochemical name: Fawcettimine

Synonymous chemical names:
fawcettimine, netural-fawcettimine

External chemical identifiers:
CID:442475, ChEBI:4989, SureChEMBL:SCHEMBL14554631

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Chemical structure information

SMILES:
C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]42[C@](C1)(O)N(CCC3)CCC4

InChI:
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1

InChIKey:
ZLMYGBDFISIGLH-WALBABNVSA-N

DeepSMILES:
C[C@@H]C[C@H]CC=O)[C@@H][C@@]5[C@]C9)O)NCCC7)))CCC6

Functional groups:
CC(C)=O, CN(C)[C@](C)(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3N4CCCC1C23CCC4

Scaffold Graph/Node level:
OC1CC2CCCC3N4CCCC1C23CCC4

Scaffold Graph level:
CC1CC2CCCC3C4CCCC1C23CCC4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azaspirodecane derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.935

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Chemical structure download