Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H29O15.Cl |
Molecular Weight | 616.952 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].[H][C@@]5(O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C=C4)O[C@H](CO)[C@@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]5O
InChI
InChIKey=BWHXEGJOYVNGQH-XOBUMVIESA-N
InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
Molecular Formula | C26H28O15 |
Molecular Weight | 580.4915 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19808084 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:34:37 GMT 2023
by
admin
on
Sat Dec 16 07:34:37 GMT 2023
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Record UNII |
4BIT5WSL15
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID30954628
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4BIT5WSL15
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3084569
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74811
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33012-73-6
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Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |