Summary

IMPPAT Phytochemical identifier: IMPHY014077

Phytochemical name: 1-(2,4-Dihydroxy-6-methoxyphenyl)-2-methylpropan-1-one

Synonymous chemical names:
robustaol b

External chemical identifiers:
CID:5320990, ChEMBL:CHEMBL444423

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Chemical structure information

SMILES:
COc1cc(O)cc(c1C(=O)C(C)C)O

InChI:
InChI=1S/C11H14O4/c1-6(2)11(14)10-8(13)4-7(12)5-9(10)15-3/h4-6,12-13H,1-3H3

InChIKey:
BONNBLZTHDEOEP-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6C=O)CC)C))))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 1.524

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Chemical structure download