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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NERAL

SMILES

CC(C)=CCC\C(C)=C/C=O

InChI

InChIKey=WTEVQBCEXWBHNA-YFHOEESVSA-N
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-

HIDE SMILES / InChI
Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

2010
465
PubMed

PubMed

TitleDatePubMed
Antifungal properties of essential oils and their main components upon Cryptococcus neoformans.
1994 Dec
The monoterpenoids citral and geraniol are moderate inhibitors of CYP2B6 hydroxylase activity.
2008 Aug 11
A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.
2010 Sep
The intra- and inter-laboratory reproducibility and predictivity of the KeratinoSens assay to predict skin sensitizers in vitro: results of a ring-study in five laboratories.
2011 Apr
An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8.
2011 Dec
B cell increases and ex vivo IL-2 production as secondary endpoints for the detection of sensitizers in non-radioisotopic local lymph node assay using flow cytometry.
2012 Mar 25
Retinoic acid biosynthesis catalyzed by retinal dehydrogenases relies on a rate-limiting conformational transition associated with substrate recognition.
2013 Feb 25
Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay.
2015 Jun
Patents

Patents

04237072
2
06703527
7
08221736
2
JP2000053923A
3
JP2001114614A
3
JP2003245555A
2
JP2003529539A
2
JP2004123674A
11
JP2004123675A
11
JP2005239965A
2
JP2006006264A
2
JP2006290872A
5
JP2006510471A
3
JP2007063166A
2
JP2007282593A
3
JP2007302572A
2
JP2007525670A
148
JP2008280539A
3
JP2008297236A
2
JP2009139368A
2
JP2009280573A
2
JP2010254898A
4
JP2011240622A
2
JP2013209432A
2
JPH01294601A
8
JPH01311191A
5
JPH02117994A
4
JPH02275816A
5
JPH03127750A
2
JPH09309802A
2
JPH10120541A
3
JPH107511A
2
JPS5223014A
2
JPS56133280A
2
JPS6083544A
2
JPS6122037A
3
JPS62169741A
2
JPS6476815A
2
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:17:48 GMT 2023
Edited
by admin
on Fri Dec 15 16:17:48 GMT 2023
Record UNII
8M466BQL1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NERAL
Systematic Name English
CITRAL NERAL [MI]
Common Name English
CITRAL-B
Common Name English
CIS-CITRAL
Common Name English
CITRAL NERAL
MI  
Systematic Name English
CITRAL B
Common Name English
(2Z)-3,7-DIMETHYLOCTA-2,6-DIENAL
Systematic Name English
Code System Code Type Description
EVMPD
SUB62725
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-379-2
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
CHEBI
29020
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
RXCUI
1484865
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY RxNorm
DAILYMED
8M466BQL1X
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
MESH
C007076
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
CHEBI
16980
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
PUBCHEM
643779
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID60881216
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
MERCK INDEX
m3591
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY Merck Index
SMS_ID
100000134491
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
FDA UNII
8M466BQL1X
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
CAS
106-26-3
Created by admin on Fri Dec 15 16:17:48 GMT 2023 , Edited by admin on Fri Dec 15 16:17:48 GMT 2023
PRIMARY
Related Record Type Details
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PARENT -> CONSTITUENT MAY BE PRESENT
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NIH
NCATS
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