Summary

IMPPAT Phytochemical identifier: IMPHY008098

Phytochemical name: Fawcettidine

Synonymous chemical names:
fawcettidine

External chemical identifiers:
CID:442473, ChEBI:4988

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Chemical structure information

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

InChI:
InChI=1S/C16H23NO/c1-11-8-12-10-14(18)13-4-2-6-17-7-3-5-16(12,13)15(17)9-11/h9,11-13H,2-8,10H2,1H3/t11-,12+,13-,16+/m1/s1

InChIKey:
ANHVSCXCALAIQN-IATRGZMQSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC=C3N4CCCC1C32CCC4

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-Likeness score: 1.71

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Chemical structure download