IMPPAT Phytochemical information: 
1-(5-Hydroxy-7-methoxy-2,2-dimethylchromen-6-YL)ethanone

1-(5-Hydroxy-7-methoxy-2,2-dimethylchromen-6-YL)ethanone
Summary

IMPPAT Phytochemical identifier: IMPHY008432

Phytochemical name: 1-(5-Hydroxy-7-methoxy-2,2-dimethylchromen-6-YL)ethanone

Synonymous chemical names:
isoevodionol

External chemical identifiers:
CID:11128652, SureChEMBL:SCHEMBL16244979
Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2c(c1C(=O)C)O

InChI:
InChI=1S/C14H16O4/c1-8(15)12-11(17-4)7-10-9(13(12)16)5-6-14(2,3)18-10/h5-7,16H,1-4H3

InChIKey:
SCSOQELWZNIRDT-UHFFFAOYSA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10C=O)C)))O

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

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass:
Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Merohemiterpenoids

NP-Likeness score: 2.447


Chemical structure download