Summary

IMPPAT Phytochemical identifier: IMPHY013509

Phytochemical name: Dihydroflavanol

Synonymous chemical names:
dihydroflavanol

External chemical identifiers:
CID:69381494, SureChEMBL:SCHEMBL5273172

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Chemical structure information

SMILES:
OC1CC2CC=CC=C2OC1c1ccccc1

InChI:
InChI=1S/C15H16O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-7,9,12-13,15-16H,8,10H2

InChIKey:
OAWXDNWZIIUYBX-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=CC=C6OC%10cccccc6

Functional groups:
CO, COC1=CC=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCC(c3ccccc3)OC2=C1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 2.02

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Chemical structure download