Summary

IMPPAT Phytochemical identifier: IMPHY008792

Phytochemical name: 2H-Chromene

Synonymous chemical names:
2h-1-benzopyran, benzopyran

External chemical identifiers:
CID:9211, ChEBI:35601, ZINC:ZINC000002040905, FDASRS:7U3W6XRV5U, SureChEMBL:SCHEMBL9208, MolPort-003-662-422

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Chemical structure information

SMILES:
C1=Cc2c(OC1)cccc2

InChI:
InChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-6H,7H2

InChIKey:
KYNSBQPICQTCGU-UHFFFAOYSA-N

DeepSMILES:
C=CccOC6))cccc6

Functional groups:
cC=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Isocoumarins

NP-Likeness score: 1.06

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Chemical structure download