Summary

IMPPAT Phytochemical identifier: IMPHY009294

Phytochemical name: Prangosine

Synonymous chemical names:
prangosine

External chemical identifiers:
CID:177596

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Chemical structure information

SMILES:
O=c1ccc2c(o1)cc1c(c2)cc(o1)C(N)(C)C

InChI:
InChI=1S/C14H13NO3/c1-14(2,15)12-6-9-5-8-3-4-13(16)18-10(8)7-11(9)17-12/h3-7H,15H2,1-2H3

InChIKey:
IFPBIHSHJPJPCA-UHFFFAOYSA-N

DeepSMILES:
O=ccccco6)cccc6)cco5)CN)C)C

Functional groups:
CN, c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2cc3ccoc3cc2o1

Scaffold Graph/Node level:
OC1CCC2CC3CCOC3CC2O1

Scaffold Graph level:
CC1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Furanocoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Furocoumarins, Simple coumarins

NP-Likeness score: 0.647

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Chemical structure download