Summary

IMPPAT Phytochemical identifier: IMPHY013980

Phytochemical name: Indane, 1-phenyl

Synonymous chemical names:
phenylindane

External chemical identifiers:
CID:529446, SureChEMBL:SCHEMBL503849

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Chemical structure information

SMILES:
c1ccc(cc1)C1CCc2c1cccc2

InChI:
InChI=1S/C15H14/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2

InChIKey:
VNAFWALXWOAPCK-UHFFFAOYSA-N

DeepSMILES:
cccccc6))CCCcc5cccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.225

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Chemical structure download