Summary

IMPPAT Phytochemical identifier: IMPHY017291

Phytochemical name: Evodone

Synonymous chemical names:
evodone

External chemical identifiers:
CID:442471, ChEBI:4949, ZINC:ZINC000004098382, SureChEMBL:SCHEMBL351647

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Chemical structure information

SMILES:
C[C@@H]1CC(=O)c2c(C1)occ2C

InChI:
InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1

InChIKey:
SMUXTLISYBPIAU-ZCFIWIBFSA-N

DeepSMILES:
C[C@@H]CC=O)ccC6)occ5C

Functional groups:
cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCc2occc21

Scaffold Graph/Node level:
OC1CCCC2OCCC12

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.654

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Chemical structure download