Summary

IMPPAT Phytochemical identifier: IMPHY014765

Phytochemical name: (6S)-6-Styryl-5,6-dihydro-2H-pyran-2-one

Synonymous chemical names:
6-styryl-5,6-dihydro-2h-pyran-2-one

External chemical identifiers:
CID:11030837, ChEMBL:CHEMBL1240592, ZINC:ZINC000013130927, MolPort-044-726-136

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Chemical structure information

SMILES:
O=C1C=CC[C@H](O1)/C=C/c1ccccc1

InChI:
InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+/t12-/m0/s1

InChIKey:
RLGHFVLWYYVMQZ-VMPCVLLUSA-N

DeepSMILES:
O=CC=CC[C@H]O6)/C=C/cccccc6

Functional groups:
O=C1C=CCCO1, c/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC(C=Cc2ccccc2)O1

Scaffold Graph/Node level:
OC1CCCC(CCC2CCCCC2)O1

Scaffold Graph level:
CC1CCCC(CCC2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Styrylpyrones

NP Classifier Class: Kavalactones and derivatives

NP-Likeness score: 2.291

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Chemical structure download