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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25NO8
Molecular Weight 431.4358
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PSEUROTIN

SMILES

CC\C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)C3=CC=CC=C3

InChI

InChIKey=SLYDIPAXCVVRNY-UOWMTANKSA-N
InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1

HIDE SMILES / InChI
Molecular Formula C22H25NO8
Molecular Weight 431.4358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 81.0 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:56 GMT 2023
Edited
by admin
on Sat Dec 16 17:30:56 GMT 2023
Record UNII
H73C5W8FNE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUROTIN
Common Name English
(5S,8S,9R)-8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE
Systematic Name English
PSEUROTIN A
Common Name English
1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXENYL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S,8S,9R)-
Systematic Name English
1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-(1,2-DIHYDROXY-3-HEXENYL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S-(2(1R*,2R*,3Z),5.ALPHA.,8.BETA.,9.BETA.))-
Systematic Name English
1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S,8S,9R)-
Systematic Name English
(-)-PSEUROTIN
Common Name English
NSC-348694
Code English
Code System Code Type Description
CAS
58523-30-1
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
NSC
348694
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
FDA UNII
H73C5W8FNE
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
PUBCHEM
9845622
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID901017601
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
CHEBI
64535
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
WIKIPEDIA
Pseurotin A
Created by admin on Sat Dec 16 17:30:56 GMT 2023 , Edited by admin on Sat Dec 16 17:30:56 GMT 2023
PRIMARY
NIH
NCATS
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