Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H28O2 |
Molecular Weight | 300.4351 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 4 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O
InChI
InChIKey=SHGAZHPCJJPHSC-YCNIQYBTSA-N
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Molecular Formula | C20H28O2 |
Molecular Weight | 300.4351 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 4 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 14:59:44 UTC 2023
by
admin
on
Fri Dec 15 14:59:44 UTC 2023
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Record UNII |
5688UTC01R
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NDF-RT |
N0000007700
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NDF-RT |
N0000175607
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NCI_THESAURUS |
C68299
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-VATC |
QL01XX14
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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FDA ORPHAN DRUG |
71692
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NCI_THESAURUS |
C804
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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FDA ORPHAN DRUG |
5785
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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FDA ORPHAN DRUG |
165802
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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LOINC |
87673-0
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-VATC |
QD10AD51
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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FDA ORPHAN DRUG |
50990
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-ATC |
D10AD51
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NDF-RT |
N0000007700
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NDF-RT |
N0000007700
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-ATC |
D10AD01
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-VATC |
QD10AD01
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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WHO-ATC |
L01XX14
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NDF-RT |
N0000007700
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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NDF-RT |
N0000007700
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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LIVERTOX |
993
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL38
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PRIMARY | |||
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2722
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PRIMARY | |||
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m9558
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admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | Merck Index | ||
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2875
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PRIMARY | |||
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122758
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PRIMARY | |||
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15367
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PRIMARY | |||
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444795
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5688UTC01R
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PRIMARY | |||
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221175
Created by
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ALTERNATIVE | |||
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C900
Created by
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PRIMARY | |||
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TRETINOIN
Created by
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PRIMARY | |||
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10753
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PRIMARY | |||
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DB00755
Created by
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PRIMARY | |||
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1674004
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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100000092588
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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Tretinoin
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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302-79-4
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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5688UTC01R
Created by
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PRIMARY | |||
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2644
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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2169
Created by
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PRIMARY | |||
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SUB11246MIG
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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DTXSID7021239
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY | |||
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206-129-0
Created by
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PRIMARY | |||
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D014212
Created by
admin on Fri Dec 15 14:59:44 UTC 2023 , Edited by admin on Fri Dec 15 14:59:44 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> AGONIST | |||
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SALT/SOLVATE -> PARENT |
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TARGET -> AGONIST | |||
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> INHIBITOR |
Binding Assay
IC50
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Related Record | Type | Details | ||
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METABOLITE -> PARENT |
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PARENT -> METABOLITE |
Mediator Substance AOX1
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METABOLITE -> PARENT |
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METABOLITE -> PARENT |
MAJOR
PLASMA
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METABOLITE -> PARENT |
MAJOR
PLASMA
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |
|