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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14
Molecular Weight 206.2824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIPHENYL-1,3-BUTADIENE, (1E,3Z)-

SMILES

C1=CC=C(\C=C\C=C/C2=CC=CC=C2)C=C1

InChI

InChIKey=JFLKFZNIIQFQBS-MFUUIURDSA-N
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7-,14-8+

HIDE SMILES / InChI

Molecular Formula C16H14
Molecular Weight 206.2824
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
3,4',5-Trihydroxy-trans-stilbene (resveratrol) inhibits human cytomegalovirus replication and virus-induced cellular signaling.
2004-08
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003-10
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001-03
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:29:08 GMT 2025
Edited
by admin
on Mon Mar 31 21:29:08 GMT 2025
Record UNII
629840Z2MG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIPHENYL-1,3-BUTADIENE, (1E,3Z)-
Systematic Name English
1,4-DIPHENYL-1,3-BUTADIENE (1E,3Z)-FORM [MI]
Preferred Name English
CIS,TRANS-1,4-DIPHENYLBUTADIENE
Systematic Name English
(1E,3Z)-1,4-DIPHENYL-1,3-BUTADIENE
Systematic Name English
1,4-DIPHENYL-1,3-BUTADIENE (E,Z)-FORM [MI]
Common Name English
BENZENE, 1,1'-(1E,3Z)-1,3-BUTADIENE-1,4-DIYLBIS-
Systematic Name English
(E,Z)-1,4-DIPHENYL-1,3-BUTADIENE
Systematic Name English
CIS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE
Systematic Name English
1,3-BUTADIENE, 1,4-DIPHENYL-, (E,Z)-
Systematic Name English
Code System Code Type Description
CAS
5808-05-9
Created by admin on Mon Mar 31 21:29:08 GMT 2025 , Edited by admin on Mon Mar 31 21:29:08 GMT 2025
PRIMARY
MERCK INDEX
m4620
Created by admin on Mon Mar 31 21:29:08 GMT 2025 , Edited by admin on Mon Mar 31 21:29:08 GMT 2025
PRIMARY Merck Index
FDA UNII
629840Z2MG
Created by admin on Mon Mar 31 21:29:08 GMT 2025 , Edited by admin on Mon Mar 31 21:29:08 GMT 2025
PRIMARY
PUBCHEM
1551381
Created by admin on Mon Mar 31 21:29:08 GMT 2025 , Edited by admin on Mon Mar 31 21:29:08 GMT 2025
PRIMARY