Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H18O12 |
Molecular Weight | 462.3604 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]1[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI
InChIKey=DJSISFGPUUYILV-ZFORQUDYSA-N
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Molecular Formula | C21H18O12 |
Molecular Weight | 462.3604 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:27:48 UTC 2023
by
admin
on
Sat Dec 16 08:27:48 UTC 2023
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Record UNII |
16IGP0ML9A
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Record Status |
Validated (UNII)
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Record Version |
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-
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m9819
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SUB130603
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DTXSID101336184
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100000156640
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1692861-25-8
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61284
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16IGP0ML9A
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1329-06-2
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27740-01-8
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Scutellarin
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32647-60-2
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676536-34-8
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61278
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185617
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Related Record | Type | Details | ||
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TRANSPORTER -> SUBSTRATE | |||
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TRANSPORTER -> INHIBITOR |
IC50
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METABOLIC ENZYME -> SUBSTRATE | |||
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TRANSPORTER -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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TRANSPORTER -> INHIBITOR |
IC50
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TRANSPORTER -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLITE -> PARENT | |||
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METABOLITE -> PARENT |
MAJOR
PLASMA; URINE
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METABOLITE -> PARENT |
MAJOR
URINE
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Tmax | PHARMACOKINETIC |
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SINGLE ORAL ADMINISTRATION |
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Biological Half-life | PHARMACOKINETIC |
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SINGLE ORAL ADMINISTRATION |
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