Summary

IMPPAT Phytochemical identifier: IMPHY015438

Phytochemical name: 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]nona-2,8-diene

Synonymous chemical names:
7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]nona-2,8-diene

External chemical identifiers:
CID:91751299

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Chemical structure information

SMILES:
C/C=C/C=C/C=C/1CCC2(O1)OCC=C2

InChI:
InChI=1S/C13H16O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-7,9H,8,10-11H2,1H3/b3-2+,5-4+,12-7+

InChIKey:
IVYFIRNEAXGGAK-ZHMYCGPMSA-N

DeepSMILES:
C/C=C/C=C/C=CCCCO5)OCC=C5

Functional groups:
C/C=C/C=C/C=C1CCC2(C=CCO2)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2(C=CCO2)O1

Scaffold Graph/Node level:
CC1CCC2(CCCO2)O1

Scaffold Graph level:
CC1CCC2(CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Miscellaneous polyketides

NP Classifier Class: Miscellaneous polyketides

NP-Likeness score: 2.065

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Chemical structure download