Summary

IMPPAT Phytochemical identifier: IMPHY004876

Phytochemical name: 2-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one

Synonymous chemical names:
multifidol, multifidol[(2-methylbutyryl )phloroglucinol

External chemical identifiers:
CID:442919, ChEMBL:CHEMBL280353, ChEBI:134326, SureChEMBL:SCHEMBL3045939

---

Chemical structure information

SMILES:
CCC(C(=O)c1c(O)cc(cc1O)O)C

InChI:
InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3

InChIKey:
ASABIRFQGVWRDC-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)ccO)cccc6O)))O))))))C

Functional groups:
cC(C)=O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: 1.42

---

Chemical structure download