Summary

IMPPAT Phytochemical identifier: IMPHY007293

Phytochemical name: 2-[(Z)-but-2-enyl]-3-methyl-6-oxabicyclo[3.2.0]hept-2-en-7-one

Synonymous chemical names:
gamma-jasmolactone

External chemical identifiers:
CID:90477594

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Chemical structure information

SMILES:
CC1=C(C/C=CC)C2C(C1)OC2=O

InChI:
InChI=1S/C11H14O2/c1-3-4-5-8-7(2)6-9-10(8)11(12)13-9/h3-4,9-10H,5-6H2,1-2H3/b4-3-

InChIKey:
ZYOIERVDBAKXBR-ARJAWSKDSA-N

DeepSMILES:
CC=CC/C=CC))))CCC5)OC4=O

Functional groups:
C/C=CC, CC(C)=C(C)C, O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC=CC12

Scaffold Graph/Node level:
OC1OC2CCCC12

Scaffold Graph level:
CC1CC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Beta propiolactones

NP-Likeness score: 2.263

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Chemical structure download