Summary

IMPPAT Phytochemical identifier: IMPHY015316

Phytochemical name: Bovolide

Synonymous chemical names:
3,4-dimethy1-5-pentylidene-2(5h)-furanone, 3,4-dimethyl-5-pentylidene-2(5h)-furanone, bovolide (2)

External chemical identifiers:
CID:6433214, SureChEMBL:SCHEMBL3106889

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Chemical structure information

SMILES:
CCCC/C=C1/OC(=O)C(=C1C)C

InChI:
InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+

InChIKey:
MTQPZHNZYWAXEH-JXMROGBWSA-N

DeepSMILES:
CCCC/C=C/OC=O)C=C/5C))C

Functional groups:
C/C=C1/OC(=O)C(C)=C1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC(=O)O1

Scaffold Graph/Node level:
CC1CCC(O)O1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: 1.774

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Chemical structure download