Summary

IMPPAT Phytochemical identifier: IMPHY015185

Phytochemical name: 1H-Cycloprop[e]azulene

Synonymous chemical names:
1h-cycloprop[e] azulene

External chemical identifiers:
CID:15549266, SureChEMBL:SCHEMBL1685149

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Chemical structure information

SMILES:
c1cc2-c(c3c(c1)C3)ccc2

InChI:
InChI=1S/C11H8/c1-3-8-4-2-6-10(8)11-7-9(11)5-1/h1-6H,7H2

InChIKey:
KITKOMRVEUKLLD-UHFFFAOYSA-N

DeepSMILES:
ccc-cccc7)C3)))ccc5

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2cccc-2c2c(c1)C2

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 0.13

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Chemical structure download