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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28O6
Molecular Weight 448.5076
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-6-(3-METHYL-2-BUTEN-1-YL)-4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE

SMILES

COC1=CC=C(C=C1OC)C2=COC3=C(C2=O)C(O)=C(CC=C(C)C)C4=C3C=CC(C)(C)O4

InChI

InChIKey=LQYJACCCVUEHFD-UHFFFAOYSA-N
InChI=1S/C27H28O6/c1-15(2)7-9-17-23(28)22-24(29)19(16-8-10-20(30-5)21(13-16)31-6)14-32-26(22)18-11-12-27(3,4)33-25(17)18/h7-8,10-14,28H,9H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C27H28O6
Molecular Weight 448.5076
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Tue Apr 01 20:15:35 GMT 2025
Edited
by admin
on Tue Apr 01 20:15:35 GMT 2025
Record UNII
GON47R5BDM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-21568
Preferred Name English
3-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-6-(3-METHYL-2-BUTEN-1-YL)-4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE
Systematic Name English
4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 3-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-6-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 3-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-6-(3-METHYL-2-BUTENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
GON47R5BDM
Created by admin on Tue Apr 01 20:15:35 GMT 2025 , Edited by admin on Tue Apr 01 20:15:35 GMT 2025
PRIMARY
PUBCHEM
228561
Created by admin on Tue Apr 01 20:15:35 GMT 2025 , Edited by admin on Tue Apr 01 20:15:35 GMT 2025
PRIMARY
CAS
5456-71-3
Created by admin on Tue Apr 01 20:15:35 GMT 2025 , Edited by admin on Tue Apr 01 20:15:35 GMT 2025
PRIMARY
NSC
21568
Created by admin on Tue Apr 01 20:15:35 GMT 2025 , Edited by admin on Tue Apr 01 20:15:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID20202983
Created by admin on Tue Apr 01 20:15:35 GMT 2025 , Edited by admin on Tue Apr 01 20:15:35 GMT 2025
PRIMARY