Summary

IMPPAT Phytochemical identifier: IMPHY009001

Phytochemical name: Peucenin

Synonymous chemical names:
peucenin

External chemical identifiers:
CID:68477, ChEMBL:CHEMBL1415085, SureChEMBL:SCHEMBL15106595

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)cc(o2)C)C

InChI:
InChI=1S/C15H16O4/c1-8(2)4-5-10-11(16)7-13-14(15(10)18)12(17)6-9(3)19-13/h4,6-7,16,18H,5H2,1-3H3

InChIKey:
DTNGBIGBPPPNNB-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)C)))))))))))C

Functional groups:
CC=C(C)C, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccccc12

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 2.259

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Chemical structure download