Summary

IMPPAT Phytochemical identifier: IMPHY009030

Phytochemical name: Polyfothine

Synonymous chemical names:
polyforthine, polyfothine

External chemical identifiers:
CID:14378578, ChEMBL:CHEMBL464665

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Chemical structure information

SMILES:
COc1cc2-c3nccc(c3C(=O)c2cc1OC)C

InChI:
InChI=1S/C15H13NO3/c1-8-4-5-16-14-9-6-11(18-2)12(19-3)7-10(9)15(17)13(8)14/h4-7H,1-3H3

InChIKey:
RBIBQZUFRNYSOK-UHFFFAOYSA-N

DeepSMILES:
COccc-cncccc6C=O)c9cc%13OC)))))))C

Functional groups:
cC(c)=O, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2ncccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C2NCCCC12

Scaffold Graph level:
CC1C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.603

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Chemical structure download