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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O4
Molecular Weight 196.1999
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAEONILACTONE B

SMILES

[H][C@@]12C[C@](C)(O)C(=O)C[C@]1([H])C(=C)C(=O)O2

InChI

InChIKey=GFSTVWDPRTWASK-XSSZXYGBSA-N
InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H12O4
Molecular Weight 196.1999
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:24:22 UTC 2023
Edited
by admin
on Sat Dec 16 09:24:22 UTC 2023
Record UNII
S6GK2A3EMD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAEONILACTONE B
Common Name English
2,5(3H,4H)-BENZOFURANDIONE, TETRAHYDRO-6-HYDROXY-6-METHYL-3-METHYLENE-, (3AR,6S,7AR)-
Systematic Name English
(+)-PAEONILACTONE
Common Name English
PAEONILACTONE-B
Common Name English
(3AR,6S,7AR)-TETRAHYDRO-6-HYDROXY-6-METHYL-3-METHYLENE-2,5(3H,4H)-BENZOFURANDIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
10375422
Created by admin on Sat Dec 16 09:24:22 UTC 2023 , Edited by admin on Sat Dec 16 09:24:22 UTC 2023
PRIMARY
FDA UNII
S6GK2A3EMD
Created by admin on Sat Dec 16 09:24:22 UTC 2023 , Edited by admin on Sat Dec 16 09:24:22 UTC 2023
PRIMARY
CAS
98751-78-1
Created by admin on Sat Dec 16 09:24:22 UTC 2023 , Edited by admin on Sat Dec 16 09:24:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
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