Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H29NO3 |
| Molecular Weight | 451.5562 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](NC[C@H]1C[C@@H](C2=CC=C(C)C(=C2)C(O)=O)C3=CC=CC=C3O1)C4=CC=CC5=C4C=CC=C5
InChI
InChIKey=KEZDVJDKMYHVIV-XCIGCYOISA-N
InChI=1S/C30H29NO3/c1-19-14-15-22(16-27(19)30(32)33)28-17-23(34-29-13-6-5-11-26(28)29)18-31-20(2)24-12-7-9-21-8-3-4-10-25(21)24/h3-16,20,23,28,31H,17-18H2,1-2H3,(H,32,33)/t20-,23-,28+/m1/s1
| Molecular Formula | C30H29NO3 |
| Molecular Weight | 451.5562 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:06:16 UTC 2023
by
admin
on
Sat Dec 16 20:06:16 UTC 2023
|
| Record UNII |
AZX4ZWQ7VX
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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89774729
Created by
admin on Sat Dec 16 20:06:18 UTC 2023 , Edited by admin on Sat Dec 16 20:06:18 UTC 2023
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PRIMARY | |||
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1451732-18-5
Created by
admin on Sat Dec 16 20:06:18 UTC 2023 , Edited by admin on Sat Dec 16 20:06:18 UTC 2023
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PRIMARY | |||
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AZX4ZWQ7VX
Created by
admin on Sat Dec 16 20:06:18 UTC 2023 , Edited by admin on Sat Dec 16 20:06:18 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
METABOLIC ENZYME -> SUBSTRATE |
|
||
|
|
BINDER->LIGAND |
BINDING
|
||
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SALT/SOLVATE -> PARENT |
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OFF TARGET->NON-INHIBITOR |
4% inhibition 10 micromolar
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TARGET -> AGONIST |
ALLOSTERIC
EC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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