Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.4706 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@@H](O)[C@H](C#C[C@@H](O)[C@@H](C)CC#CCC)[C@@]1([H])C\C(C2)=C\COCC(O)=O
InChI
InChIKey=ARUGKOZUKWAXDS-SEWALLKFSA-N
InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17-,18+,19-,20+,21+/m0/s1
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.4706 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:32:54 UTC 2023
by
admin
on
Fri Dec 15 16:32:54 UTC 2023
|
| Record UNII |
NE94J8CAMD
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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CHEMBL160629
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C043867
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100000081882
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DTXSID00873211
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5311044
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631
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94079-80-8
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NE94J8CAMD
Created by
admin on Fri Dec 15 16:32:54 UTC 2023 , Edited by admin on Fri Dec 15 16:32:54 UTC 2023
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C174756
Created by
admin on Fri Dec 15 16:32:54 UTC 2023 , Edited by admin on Fri Dec 15 16:32:54 UTC 2023
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SUB06230MIG
Created by
admin on Fri Dec 15 16:32:54 UTC 2023 , Edited by admin on Fri Dec 15 16:32:54 UTC 2023
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5826
Created by
admin on Fri Dec 15 16:32:54 UTC 2023 , Edited by admin on Fri Dec 15 16:32:54 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> AGONIST |
IC50
|
||
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TARGET -> AGONIST |
BINDING
IC50
|
||
|
TARGET->WEAK AGONIST |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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ACTIVE MOIETY |
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