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Details

Stereochemistry ACHIRAL
Molecular Formula C28H32O6
Molecular Weight 464.5501
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0
Stereo Comments keto-enol tautomerism possible

SHOW SMILES / InChI
Structure of ASC-JM-17

SMILES

COC1=CC=C(\C=C\C(=O)C(CC2CCC2)C(=O)\C=C\C3=CC=C(OC)C(OC)=C3)C=C1OC

InChI

InChIKey=PJOSHEDKRPRCAE-QHKWOANTSA-N
InChI=1S/C28H32O6/c1-31-25-14-10-20(17-27(25)33-3)8-12-23(29)22(16-19-6-5-7-19)24(30)13-9-21-11-15-26(32-2)28(18-21)34-4/h8-15,17-19,22H,5-7,16H2,1-4H3/b12-8+,13-9+

HIDE SMILES / InChI
Molecular Formula C28H32O6
Molecular Weight 464.5501
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:34:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:53 GMT 2023
Record UNII
5VLL140BN9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASC-JM-17
Code English
1,6-HEPTADIENE-3,5-DIONE, 4-(CYCLOBUTYLMETHYL)-1,7-BIS(3,4-DIMETHOXYPHENYL)-, (1E,6E)-
Systematic Name English
ASC-JM17
Code English
(1E,6E)-4-(CYCLOBUTYLMETHYL)-1,7-BIS(3,4-DIMETHOXYPHENYL)-1,6-HEPTADIENE-3,5-DIONE
Systematic Name English
(1E,6E)-1,7-BIS(3,4-DIMETHOXYPHENYL)-4-CYCLOBUTYLMETHYL-1,6-HEPTADIENE-3,5-DIONE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 686419
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
FDA ORPHAN DRUG 704319
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
FDA ORPHAN DRUG 701819
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
EU-Orphan Drug EU/3/16/1639
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
FDA ORPHAN DRUG 509315
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
Code System Code Type Description
EVMPD
SUB195629
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
PRIMARY
FDA UNII
5VLL140BN9
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
PRIMARY
CAS
2074613-88-8
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
ALTERNATIVE
PUBCHEM
25183127
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
PRIMARY
CAS
1039760-91-2
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
PRIMARY
SMS_ID
100000181848
Created by admin on Sat Dec 16 12:34:53 GMT 2023 , Edited by admin on Sat Dec 16 12:34:53 GMT 2023
PRIMARY
Related Record Type Details
HEAT SHOCK FACTOR PROTEIN 1
TARGET -> ACTIVATOR
TRANSCRIPTION FACTOR NRF1
TARGET -> ACTIVATOR
NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2
TARGET -> ACTIVATOR
Related Record Type Details
Structure of ASC-JM-17
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