Summary

IMPPAT Phytochemical identifier: IMPHY005986

Phytochemical name: Noreugenin

Synonymous chemical names:
5,7-dihydroxy-2-methyl-chromone

External chemical identifiers:
CID:5375252, ChEMBL:CHEMBL507707, ChEBI:67375, ZINC:ZINC000005765136, FDASRS:M0KFC1Q5JC, SureChEMBL:SCHEMBL168822, MolPort-001-742-273

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)C

InChI:
InChI=1S/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3

InChIKey:
NCUJRUDLFCGVOE-UHFFFAOYSA-N

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

Functional groups:
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: 1.788

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Chemical structure download