Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z2TG
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| Former ID |
DNC008868
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| Drug Name |
Pedunculagin
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| Synonyms |
Pedunculagin; CHEMBL506204; CHEBI:7948; AC1L9D8E; C10236
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C34H24O22
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| Canonical SMILES |
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
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| InChI |
1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
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| InChIKey |
IYMHVUYNBVWXKH-ZITZVVOASA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:7948
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade. J Nat Prod. 1998 Nov;61(11):1356-60. | |||
| REF 2 | Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4. | |||
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