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Details

Stereochemistry RACEMIC
Molecular Formula C13H14O3
Molecular Weight 218.2485
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NCS-382

SMILES

OC1C2=CC=CC=C2CCC\C1=C/C(O)=O

InChI

InChIKey=UADPGHINQMWEAG-CSKARUKUSA-N
InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+

HIDE SMILES / InChI

Molecular Formula C13H14O3
Molecular Weight 218.2485
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.5 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:20 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:20 GMT 2023
Record UNII
8WW2CD9KK4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NCS-382
Code English
ACETIC ACID, 2-(5,7,8,9-TETRAHYDRO-5-HYDROXY-6H-BENZOCYCLOHEPTEN-6-YLIDENE)-, (2E)-
Systematic Name English
ACETIC ACID, (5,7,8,9-TETRAHYDRO-5-HYDROXY-6H-BENZOCYCLOHEPTEN-6-YLIDENE)-
Systematic Name English
2-(5,7,8,9-TETRAHYDRO-5-HYDROXY-6H-BENZOCYCLOHEPTEN-6-YLIDENE)ACETIC ACID
Systematic Name English
(2E)-2-(5,7,8,9-TETRAHYDRO-5-HYDROXY-6H-BENZOCYCLOHEPTEN-6-YLIDENE)ACETIC ACID
Systematic Name English
Code System Code Type Description
CAS
520505-01-5
Created by admin on Sat Dec 16 11:07:21 GMT 2023 , Edited by admin on Sat Dec 16 11:07:21 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID501018138
Created by admin on Sat Dec 16 11:07:21 GMT 2023 , Edited by admin on Sat Dec 16 11:07:21 GMT 2023
PRIMARY
PUBCHEM
5875451
Created by admin on Sat Dec 16 11:07:21 GMT 2023 , Edited by admin on Sat Dec 16 11:07:21 GMT 2023
PRIMARY
FDA UNII
8WW2CD9KK4
Created by admin on Sat Dec 16 11:07:21 GMT 2023 , Edited by admin on Sat Dec 16 11:07:21 GMT 2023
PRIMARY
CAS
326809-98-7
Created by admin on Sat Dec 16 11:07:21 GMT 2023 , Edited by admin on Sat Dec 16 11:07:21 GMT 2023
PRIMARY
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