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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

PubMed

PubMed

TitleDatePubMed
Antifungal properties of essential oils and their main components upon Cryptococcus neoformans.
1994 Dec
Utilization of geraniol is dependent on molybdenum in Pseudomonas aeruginosa: evidence for different metabolic routes for oxidation of geraniol and citronellol.
2005 Jul
Analysis of the enzymatic formation of citral in the glands of sweet basil.
2006 Apr 15
The monoterpenoids citral and geraniol are moderate inhibitors of CYP2B6 hydroxylase activity.
2008 Aug 11
An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8.
2011 Dec
Fumigant antifungal activity of Myrtaceae essential oils and constituents from Leptospermum petersonii against three Aspergillus species.
2012 Sep 3
Small molecules inhibit growth, viability and ergosterol biosynthesis in Candida albicans.
2013 Dec
Retinoic acid biosynthesis catalyzed by retinal dehydrogenases relies on a rate-limiting conformational transition associated with substrate recognition.
2013 Feb 25
Differentiation of skin sensitizers from irritant chemicals by interleukin-1α and macrophage inflammatory protein-2 in murine keratinocytes.
2013 Jan 10
A screen for disruptors of the retinol (vitamin A) signaling pathway.
2013 Jun
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
Chemical allergens stimulate human epidermal keratinocytes to produce lymphangiogenic vascular endothelial growth factor.
2015 Mar 1
Dual regulation of skin sensitizer-induced HMOX1 expression by Bach1 and Nrf2: Comparison to regulation of the AKR1C2-ARE element in the KeratinoSens cell line.
2015 Nov 1
Patents
Substance Class Chemical
Created
by admin
on Wed Jul 05 23:44:46 UTC 2023
Edited
by admin
on Wed Jul 05 23:44:46 UTC 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 Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
203-379-2
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
CHEBI
29020
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
RXCUI
1484865
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY RxNorm
DAILYMED
8M466BQL1X
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
MESH
C007076
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
CHEBI
16980
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
PUBCHEM
643779
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID60881216
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
MERCK INDEX
M3591
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY Merck Index
SMS_ID
100000134491
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
FDA UNII
8M466BQL1X
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
CAS
106-26-3
Created by admin on Wed Jul 05 23:44:46 UTC 2023 , Edited by admin on Wed Jul 05 23:44:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
ASSAY (GC)
PARENT -> CONSTITUENT MAY BE PRESENT
ASSAY (GC)