Summary

IMPPAT Phytochemical identifier: IMPHY000239

Phytochemical name: Eugenin

Synonymous chemical names:
2-methyl-5-hydroxy-7-methoxychromone(eugenine), eugenin, eugenine, eugenine(2-methyl-5-hydroxy-7-methoxy chromone)

External chemical identifiers:
CID:10189, ChEMBL:CHEMBL446974, ChEBI:67374, ZINC:ZINC000000336322, SureChEMBL:SCHEMBL1860860, MolPort-003-803-086

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)C

InChI:
InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3

InChIKey:
SUTUBQHKZRNZRA-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))C

Functional groups:
c=O, cO, cOC, 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: 1.378

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Chemical structure download