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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PABULENOL

SMILES

CC(=C)[C@H](O)COC1=C2C=COC2=CC3=C1C=CC(=O)O3

InChI

InChIKey=BVMOMQJYQYBMKL-GFCCVEGCSA-N
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14O5
Molecular Weight 286.2794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:13:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:47 GMT 2023
Record UNII
1P9F66D29E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PABULENOL
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-
Systematic Name English
4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-((2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-, (-)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3009225
Created by admin on Sat Dec 16 10:13:47 GMT 2023 , Edited by admin on Sat Dec 16 10:13:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID00955480
Created by admin on Sat Dec 16 10:13:47 GMT 2023 , Edited by admin on Sat Dec 16 10:13:47 GMT 2023
PRIMARY
FDA UNII
1P9F66D29E
Created by admin on Sat Dec 16 10:13:47 GMT 2023 , Edited by admin on Sat Dec 16 10:13:47 GMT 2023
PRIMARY
CAS
33889-70-2
Created by admin on Sat Dec 16 10:13:47 GMT 2023 , Edited by admin on Sat Dec 16 10:13:47 GMT 2023
PRIMARY