U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20O6
Molecular Weight 308.3264
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-HYDROXYCLADOSPORIN

SMILES

C[C@H]1C[C@@H](O)C[C@H](C[C@H]2CC3=C(C(=O)O2)C(O)=CC(O)=C3)O1

InChI

InChIKey=BGBCTXXTDYWYHE-VVUYAAESSA-N
InChI=1S/C16H20O6/c1-8-2-10(17)5-13(21-8)7-12-4-9-3-11(18)6-14(19)15(9)16(20)22-12/h3,6,8,10,12-13,17-19H,2,4-5,7H2,1H3/t8-,10+,12+,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20O6
Molecular Weight 308.3264
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:47:46 GMT 2025
Edited
by admin
on Mon Mar 31 22:47:46 GMT 2025
Record UNII
2WMQ2799OP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-HYDROXYCLADOSPORIN
Common Name English
4'-HYDROXYASPERENTIN
Preferred Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(((2R,4R,6S)-TETRAHYDRO-4-HYDROXY-6-METHYL-2H-PYRAN-2-YL)METHYL)-, (3R)-
Systematic Name English
(3R)-3,4-DIHYDRO-6,8-DIHYDROXY-3-(((2R,4R,6S)-TETRAHYDRO-4-HYDROXY-6-METHYL-2H-PYRAN-2-YL)METHYL)-1H-2-BENZOPYRAN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50965812
Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025
PRIMARY
FDA UNII
2WMQ2799OP
Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025
PRIMARY
CAS
51484-09-4
Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025
PRIMARY
PUBCHEM
119057372
Created by admin on Mon Mar 31 22:47:46 GMT 2025 , Edited by admin on Mon Mar 31 22:47:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR