Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H36O14 |
| Molecular Weight | 728.6947 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@@H]2[C@H]3O[C@@H](O[C@H]3[C@@H](C)O[C@H]2OC4=C5C(=CC=C4)C(O)=C6C(=O)OC7=C8C(C(=O)OC5=C68)=C(C)C=C7)C9=CC=CC=C9)[C@@H]1O
InChI
InChIKey=XVSHGAAPBNVZEJ-ZKYOYAGGSA-N
InChI=1S/C39H36O14/c1-15-13-14-21-24-22(15)35(43)50-31-23-19(28(41)26(25(24)31)36(44)48-21)11-8-12-20(23)49-39-34(53-38-29(42)32(45-4)27(40)16(2)46-38)33-30(17(3)47-39)51-37(52-33)18-9-6-5-7-10-18/h5-14,16-17,27,29-30,32-34,37-42H,1-4H3/t16-,17-,27+,29-,30+,32+,33+,34-,37-,38-,39+/m1/s1
| Molecular Formula | C39H36O14 |
| Molecular Weight | 728.6947 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 15:17:30 GMT 2025
by
admin
on
Wed Apr 02 15:17:30 GMT 2025
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| Record UNII |
V6PXE6SA7G
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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639831
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DTXSID20906499
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admin on Wed Apr 02 15:17:30 GMT 2025 , Edited by admin on Wed Apr 02 15:17:30 GMT 2025
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101694-19-3
Created by
admin on Wed Apr 02 15:17:30 GMT 2025 , Edited by admin on Wed Apr 02 15:17:30 GMT 2025
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V6PXE6SA7G
Created by
admin on Wed Apr 02 15:17:30 GMT 2025 , Edited by admin on Wed Apr 02 15:17:30 GMT 2025
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9831782
Created by
admin on Wed Apr 02 15:17:30 GMT 2025 , Edited by admin on Wed Apr 02 15:17:30 GMT 2025
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| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE ACTIVE |
Metabolite rapidly formed, IST-622 not seen in plasma.
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