U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20O4
Molecular Weight 300.349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOITUNGBIPHENYL A

SMILES

COC1=C(CC=C(C)C)C(=CC(O)=C1O)C2=CC=C(O)C=C2

InChI

InChIKey=DEPMDNKIRJLXNM-UHFFFAOYSA-N
InChI=1S/C18H20O4/c1-11(2)4-9-14-15(12-5-7-13(19)8-6-12)10-16(20)17(21)18(14)22-3/h4-8,10,19-21H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H20O4
Molecular Weight 300.349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:51:37 GMT 2023
Edited
by admin
on Sat Dec 16 10:51:37 GMT 2023
Record UNII
H4K9G49U23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOITUNGBIPHENYL A
Common Name English
(1,1'-BIPHENYL)-3,4,4'-TRIOL, 5-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
5-(4-HYDROXYPHENYL)-3-METHOXY-4-(3-METHYLBUT-2-ENYL)BENZENE-1,2-DIOL
Systematic Name English
5-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)(1,1'-BIPHENYL)-3,4,4'-TRIOL
Systematic Name English
SCHOMBURGBIPHENYL B
Common Name English
Code System Code Type Description
PUBCHEM
102236820
Created by admin on Sat Dec 16 10:51:37 GMT 2023 , Edited by admin on Sat Dec 16 10:51:37 GMT 2023
PRIMARY
FDA UNII
H4K9G49U23
Created by admin on Sat Dec 16 10:51:37 GMT 2023 , Edited by admin on Sat Dec 16 10:51:37 GMT 2023
PRIMARY
CAS
1638527-15-7
Created by admin on Sat Dec 16 10:51:37 GMT 2023 , Edited by admin on Sat Dec 16 10:51:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
TMV infection inhibition activity of compound 18.8 ? 2.5%. Powdered leaves and stems of N. tabacum were extracted with 70% aqueous acetone.