Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H32O3 |
| Molecular Weight | 296.4449 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCC\C=C/C\C=C/CCCCCCC(O)C(O)=O
InChI
InChIKey=AFDSETGKYZMEEA-HZJYTTRNSA-N
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
| Molecular Formula | C18H32O3 |
| Molecular Weight | 296.4449 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 2 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:44:38 UTC 2023
by
admin
on
Sat Dec 16 12:44:38 UTC 2023
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| Record UNII |
0DE74TJ7EZ
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| Record Status |
Validated (UNII)
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| Record Version |
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0DE74TJ7EZ
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ABTL0812
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136927
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300000041378
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DTXSID301258077
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57818-44-7
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21158511
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C117290
Created by
admin on Sat Dec 16 12:44:38 UTC 2023 , Edited by admin on Sat Dec 16 12:44:38 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> AGONIST |
Ki=7.1 micromolar (Supplementary Fig. S5; http://clincancerres.aacrjournals.org/content/22/10/2508.figures-only)
IN-VITRO
IC50
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TARGET -> AGONIST |
Ki=4.7 micromolar (Supplementary Fig. S5; http://clincancerres.aacrjournals.org/content/22/10/2508.figures-only)
IN-VITRO
IC50
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
