Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C48H76O19 |
| Molecular Weight | 957.1056 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 23 / 23 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O
InChI
InChIKey=QZMAEZWZCGBZFK-AOJWCAIYSA-N
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
| Molecular Formula | C48H76O19 |
| Molecular Weight | 957.1056 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 23 / 23 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17190444Curator's Comment: description was created based on several sources, including
http://link.springer.com/referenceworkentry/10.1007%2F978-1-4614-0541-2_70
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17190444
Curator's Comment: description was created based on several sources, including
http://link.springer.com/referenceworkentry/10.1007%2F978-1-4614-0541-2_70
CALENDULOSIDE H is the derivative of oleanolic acid present in a wide variety of Caltha plants. CALENDULOSIDE H exhibited marked antiinflammatory activity in 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced inflammation in mice.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: GO:0006954 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17190444 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17190444
CALENDULOSIDE H exhibited marked antiinflammatory activity, with ID50 values of 0.20 mg per ear in 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced inflammation in mice.
Route of Administration:
Topical
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17190444
CALENDULOSIDE H exhibited marked antiinflammatory activity against the Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorbol-13-acetate (TPA). The inhibition of EBV-EA activation was assayed using Raji cells (virus nonproducer), the EBV genome-carrying human lymphoblastoid cells.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:06:48 GMT 2025
by
admin
on
Mon Mar 31 20:06:48 GMT 2025
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| Record UNII |
XRX4A17TSS
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| Record Status |
Validated (UNII)
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| Record Version |
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XRX4A17TSS
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44566500
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DTXSID60180670
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
CALENDULA OFFICINALIS FLOWER terpenoid
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