General Information of the Compound
Compound ID
CP0086263
Compound Name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
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Synonyms
ACON
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonate-traen-1-ol
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraen-1-ol
3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-Isomer
68-26-8
A-Mulsal
A-Sol
A-Vi-Pel
A-Vitan
ALL-TRANS RETINOL (SEE ALSO RETINOID PROJECT 1)
ATAV
Afaxin
Agiolan
Agoncal
Alcohol 9,13-dimethyl-7-(1,1,5-trimethyl-6-cyclohexen-5-yl)-7,9,11,13-nonatetraen-15-ol
Alcovit A
Alin
All Trans Retinol
All-trans retinol
All-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
All-trans-Retinol
All-trans-Retinyl alcohol
All-trans-Vitamin A
All-trans-Vitamin A alcohol
All-trans-Vitamin A1
Alphalin
Alphasterol
Anatola
Anatola A
Anti-infective vitamin
Antixerophthalmic vitamin
Antixerophthalmisches Vitamin
Aoral
Apexol
Apostavit
Aquasol A Parenteral
Aquasynth
Atars
Avibon
Avita
Avitol
Axerol
Axerophthol
Axerophtholum
Bentavit A
Beta-Retinol
Biosterol
Chocola A
Cylasphere
Del-VI-A
Disatabs Tabs
Dofsol
Dohyfral A
Epiteliol
Hi-A-Vita
Homagenets Aoral
Homagenets aorl
Hydrovit A
LPK
Lard Factor
MVC 9+3
MVI-12
Mvc Plus
Myvpack
Nio-A-Let
Oleovitamin A
Ophthalamin
Plivit A
Prepalin
Retin-11,12-t2-ol (9CI)
Retinol
Retinol [INN:BAN]
Retinol solution
Retinol, all-trans-(8CI)
Retinol-(cellular-retinol-binding-protein)
Retinolo
Retinolo [DCIT]
Retinolum
Retinolum [INN-Latin]
Retrovitamin A
Ro-a-vit
Rovimix A 500
Sehkraft A
Solu-A
Super A
TROL
Testavol
Testavol S
Thalasphere
Trans-Retinol acid (Vitamin A)
Trans-Vitamin A alcohol
Trans-retinol
Tricyclics
Vaflol
Vafol
Veroftal
Vi-Alpha
Vi-Dom-A
Vi-a
Vi-alpha
Vio-A
Vitamin A
Vitamin A (Feed)
Vitamin A (USP)
Vitamin A alcohol
Vitamin A alcohol (VAN)
Vitamin A cryst
Vitamin A1
Vitamin A1 alcohol
Vitamin A1 alcohol, all trans
Vitamin-A
Vitamin-A alcohol
Vitamin-A alcohol solution
Vitamin-A1
Vitamine A
Vitaminum A
Vitavel A
Vitavel-A
Vitpex
Vogan
Vogan-Neu
Vogan-nu
Wachstumsvitamin
Zinosan N
[11,12-3H]-Retinol
all-trans-Retinol
all-trans-Retinyl alcohol
all-trans-Vitamin A
retinol
trans-retinol
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Structure
Formula
C20H30O
Molecular Weight
286.459
Canonical SMILES
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
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InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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InChIKey
FPIPGXGPPPQFEQ-OVSJKPMPSA-N
CAS
1341-18-0
1406-67-3
53637-36-8
13123-33-6
17104-91-5
5979-23-7
11103-57-4
68-26-8
Physicochemical Property
logP
5.5103
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 445354
SID: 14799924
ChEMBL ID
CHEMBL986
DrugBank ID
DB00162
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Vitamin A )
Drug Name Vitamin A
Indication
Night blindness
Approved
Kinetoplastids
Investigative
Target(s)
Trypanosoma Trypanothione reductase (Trypano TPR)
Binder
Retinoic acid receptor RXR-gamma (RXRG)
Binder