Summary

IMPPAT Phytochemical identifier: IMPHY015209

Phytochemical name: 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene

Synonymous chemical names:
2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene

External chemical identifiers:
CID:91751298

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Chemical structure information

SMILES:
C/C=C/C=C/C=C/1C=CC2(O1)CCCO2

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

InChIKey:
ZDRLUYUPSIVYOD-ZHMYCGPMSA-N

DeepSMILES:
C/C=C/C=C/C=CC=CCO5)CCCO5

Functional groups:
C/C=C/C=C/C=C1C=CC(C)(OC)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2(CCCO2)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: Cyclic polyketides

NP-Likeness score: 2.406

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Chemical structure download