Summary

IMPPAT Phytochemical identifier: IMPHY011467

Phytochemical name: Propterol-b

Synonymous chemical names:
propterol b, propterol-b

Chemical structure information

SMILES:
Oc1ccc(cc1)CC(Cc1ccc(cc1O)O)O

InChI:
InChI=1S/C15H16O4/c16-12-4-1-10(2-5-12)7-14(18)8-11-3-6-13(17)9-15(11)19/h1-6,9,14,16-19H,7-8H2

InChIKey:
HBFNWMJHTGIQRB-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCCcccccc6O)))O))))))O

Functional groups:
CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Cinnamylphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.03

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Chemical structure download