Summary

IMPPAT Phytochemical identifier: IMPHY009713

Phytochemical name: (Z)-Methyl jasmonate

Synonymous chemical names:
(z)-methyl jasmonate

External chemical identifiers:
CID:6430765

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Chemical structure information

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

InChI:
InChI=1S/C12H18O3/c1-3-4-5-6-9-10(12(14)15-2)7-8-11(9)13/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-,10+/m1/s1

InChIKey:
LQBORWCRYHAYHJ-OOMSKYPHSA-N

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

Functional groups:
C/C=CC, CC(C)=O, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP-Likeness score: 1.73

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Chemical structure download