Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005358

Phytochemical name: Jasmine lactone

Synonymous chemical names:
cis-jasmene lactone, Jasmin lactone, jasmine lactone, jasmin lactone, (z)-jasmin lactone

External chemical identifiers:
CID:CID_5352626, FDASRS:H8558L43SR, SureChEMBL:SCHEMBL2939421

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Chemical structure information

SMILES:
CC/C=C\CC1CCCC(=O)O1

InChI:
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey:
XPPALVZZCMPTIV-ARJAWSKDSA-N

DeepSMILES:
CC/C=C\CCCCCC=O)O6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCO1

Scaffold Graph/Node level:
OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Delta valerolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.386

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Chemical structure download