Summary

IMPPAT Phytochemical identifier: IMPHY010738

Phytochemical name: Pratenol A

Synonymous chemical names:
pratenol a

Chemical structure information

SMILES:
O=C1C=C(C(O1)(C)O)C1=COc2c(C1)ccc(c2)O

InChI:
InChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3

InChIKey:
AICICGKRUHSXCE-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCO5)C)O))C=COccC6)cccc6)O

Functional groups:
cO, cOC=C(C)C1=CC(=O)OC1(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2=COc3ccccc3C2)CO1

Scaffold Graph/Node level:
OC1CC(C2COC3CCCCC3C2)CO1

Scaffold Graph level:
CC1CCC(C2CCC3CCCCC3C2)C1

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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-Likeness score: 2.305

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Chemical structure download