TANNIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Unknown
Molecule Category: Parent
UNII: 28F9E0DJY6

Structure
InChI Key LRBQNJMCXXYXIU-PPKXGCFTSA-N
Smile O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C76H52O46
Molecular Weight 1701.21
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 919 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 4607.4 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 325 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 185 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 375 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 22 - - -
Enzyme Lyase
- 2715 - 17800 -
Enzyme Oxidoreductase
- 268 - - 12.3
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 4703 - - -
Enzyme Protease Serine protease
- 2310 - - -
Enzyme Transferase
585 13200 - - -
Enzyme
585 130-130 - 17800 12.3
Membrane receptor
- - - - 74
Other cytosolic protein
- 3800 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 2630.27 - 1460 10.59
Unclassified protein
- 870-1000 - - 94-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroenteritis 3 D005759 ClinicalTrials

Related Entries

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 1401-55-4
ChEBI 81066
ChEMBL CHEMBL506247
EPA CompTox DTXSID00892987
FDA SRS 28F9E0DJY6
Guide to Pharmacology 4319
KEGG C17409
SureChEMBL SCHEMBL409692
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