Summary

IMPPAT Phytochemical identifier: IMPHY007165

Phytochemical name: Furopelargone A

Synonymous chemical names:
furopelargone a

External chemical identifiers:
CID:6451194

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Chemical structure information

SMILES:
CC(=O)[C@@H]1CC[C@@H]([C@@H]1c1occc1C(C)C)C

InChI:
InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3/t10-,13-,14-/m0/s1

InChIKey:
DVIZGXBTTFXQQC-BPNCWPANSA-N

DeepSMILES:
CC=O)[C@@H]CC[C@@H][C@@H]5coccc5CC)C))))))))C

Functional groups:
CC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(C2CCCC2)c1

Scaffold Graph/Node level:
C1CCC(C2CCCO2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 1.227

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Chemical structure download