Summary

IMPPAT Phytochemical identifier: IMPHY013662

Phytochemical name: Hexahydroflavone

Synonymous chemical names:
hexahydroflavone

External chemical identifiers:
CID:129774361

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Chemical structure information

SMILES:
O=C1CC(OC2=CCCCC12)c1ccccc1

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

InChIKey:
RLNYGLHPFWFNHX-UHFFFAOYSA-N

DeepSMILES:
O=CCCOC=CCCCC%106)))))))cccccc6

Functional groups:
CC(C)=O, CC=C(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)OC2=CCCCC12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.302

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Chemical structure download