Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R4WJ
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| Former ID |
DIB021019
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| Drug Name |
tannic acid
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| Synonyms |
TANNIC ACID; Glycerite; 1401-55-4; Gallotannic acid; MLS001335996; CHEBI:81066; 5424-20-4; SMR000857330; DSSTox_CID_6076; DSSTox_RID_78006; DSSTox_GSID_26076; Quebracho extract; CAS-1401-55-4; Tannic acid, ACS reagent; Tanninum; MFCD00066397; Chinese gallotannin; NCGC00095101-01; Gallotannin; EINECS 226-562-9; C76H52O46; Tannin (Tannic acid); Tannic acid, technical; Tannic acid, technical grade; MLS001335995; SCHEMBL409692; Tannic acid, SAJ first grade; GTPL4319; CHEMBL506247; BDBM60986; Tannic acid, puriss., 95.0%
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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 |
C76H52O46
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| Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O
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| InChI |
1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
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| InChIKey |
LRBQNJMCXXYXIU-PPKXGCFTSA-N
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| CAS Number |
CAS 1401-55-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
610282, 3138471, 14890893, 24849966, 24865158, 24890284, 24899872, 24901441, 28730082, 40663557, 57260395, 57264342, 57379931, 57647551, 96023759, 103600468, 119525821, 124896727, 124896728, 126664276, 131270989, 135250117, 137495426, 144204975, 144210399, 152090738, 162175377, 162225074, 174527249, 175455196, 176331279, 178101136, 179339782, 223446044, 223658846, 224779554, 226737115, 245300734, 252109662, 252402553, 252640156
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| ChEBI ID |
CHEBI:81066
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcium-dependent chloride channel anoctamin (ANO) | Target Info | Blocker (channel blocker) | [2] |
| Reactome | Stimuli-sensing channels | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4319). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 708). | |||
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