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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUSTDIOL

SMILES

CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1

InChI

InChIKey=QVMUHZHZYCDMAI-RYUDHWBXSA-N
InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H12O5
Molecular Weight 236.2207
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:51 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:51 GMT 2023
Record UNII
3348BWJ4V7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUSTDIOL
Common Name English
NSC-159632
Code English
6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)-
Systematic Name English
(7R,8S)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde
Systematic Name English
Code System Code Type Description
CAS
53043-28-0
Created by admin on Fri Dec 15 19:42:51 GMT 2023 , Edited by admin on Fri Dec 15 19:42:51 GMT 2023
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NSC
159632
Created by admin on Fri Dec 15 19:42:51 GMT 2023 , Edited by admin on Fri Dec 15 19:42:51 GMT 2023
PRIMARY
FDA UNII
3348BWJ4V7
Created by admin on Fri Dec 15 19:42:51 GMT 2023 , Edited by admin on Fri Dec 15 19:42:51 GMT 2023
PRIMARY
PUBCHEM
40604
Created by admin on Fri Dec 15 19:42:51 GMT 2023 , Edited by admin on Fri Dec 15 19:42:51 GMT 2023
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EPA CompTox
DTXSID70201087
Created by admin on Fri Dec 15 19:42:51 GMT 2023 , Edited by admin on Fri Dec 15 19:42:51 GMT 2023
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