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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24O3
Molecular Weight 312.4028
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YAKUCHINONE A

SMILES

COC1=CC(CCC(=O)CCCCC2=CC=CC=C2)=CC=C1O

InChI

InChIKey=TXELARZTKDBEKS-UHFFFAOYSA-N
InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H24O3
Molecular Weight 312.4028
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:24:57 GMT 2025
Edited
by admin
on Mon Mar 31 19:24:57 GMT 2025
Record UNII
2X58Y9JC7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YAKUCHINONE A
Common Name English
1-(4-HYDROXY-3-METHOXYPHENYL)-7-PHENYL-3-HEPTANONE
Preferred Name English
3-HEPTANONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-7-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50229406
Created by admin on Mon Mar 31 19:24:57 GMT 2025 , Edited by admin on Mon Mar 31 19:24:57 GMT 2025
PRIMARY
FDA UNII
2X58Y9JC7L
Created by admin on Mon Mar 31 19:24:57 GMT 2025 , Edited by admin on Mon Mar 31 19:24:57 GMT 2025
PRIMARY
PUBCHEM
133145
Created by admin on Mon Mar 31 19:24:57 GMT 2025 , Edited by admin on Mon Mar 31 19:24:57 GMT 2025
PRIMARY
CAS
78954-23-1
Created by admin on Mon Mar 31 19:24:57 GMT 2025 , Edited by admin on Mon Mar 31 19:24:57 GMT 2025
PRIMARY