Compound Summary
Compound Information
TANNIC ACID
Compound Name: | TANNIC ACID |
Compound CID: | 16129778 |
Synonyms: | TANNIC ACID 1401-55-4 Gallotannin Glycerite Chinese gallotannin More... |
Iupac Name: | [2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate |
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 |
InChIKey: | LRBQNJMCXXYXIU-PPKXGCFTSA-N |
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 |
Isomeric Smiles: | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](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 |
Molecular Weight: | 1701.2 |
Molecular Formula: | C76H52O46 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
TANNIC ACID
Molecular Weight: | 1701.2 |
Molecular Formula: | C76H52O46 |
Hydrogen Bond Donor Count: | 25 |
Hydrogen Bond Acceptor Count: | 46 |
Rotatable Bond Count: | 31 |
Heavy Atom Count: | 122 |
Complexity: | 3570 |
Synonyms
TANNIC ACID
| TANNIC ACID | TANNIC ACID |
|---|---|
TANNIC ACID |
1401-55-4 |
Gallotannin |
Glycerite |
Chinese gallotannin |
Gallotannic acid |
5424-20-4 |
MFCD00066397 |
MLS001335996 |
CHEBI:81066 |
2,3-dihydroxy-5-(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyloxyoxan-2-ylmethoxycarbonylphenyl 3,4,5-trihydroxybenzoate |
SMR000857330 |
DSSTox_CID_6076 |
DSSTox_RID_78006 |
DSSTox_GSID_26076 |
2,3-Dihydroxy-5-3,4,5,6-tetrakis3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyloxyoxan-2-ylmethoxycarbonylphenyl 3,4,5-trihydroxybenzoate |
FEMA No. 3042 |
Quebracho extract |
CAS-1401-55-4 |
C76H52O46 |
tannic-acid |
NSC656273 |
NSC-656273 |
NCGC00095101-01 |
EINECS 226-562-9 |
Tannin (Tannic acid) |
Tannic acid, technical |
Tannic acid, ACS reagent |
Tannic acid, technical grade |
MLS001335995 |
SCHEMBL409692 |
Tannic acid, SAJ first grade |
CHEMBL506247 |
GTPL4319 |
BDBM60986 |
DTXSID00892987 |
Tannic acid, puriss., 95.0% |
cid_16129778 |
Tox21_111422 |
Tox21_300079 |
BDBM50442879 |
s3951 |
AKOS015951319 |
Tannic acid, Vetec(TM) reagent grade |
CCG-270692 |
beta-D-Glucose pentakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate) |
NCGC00186054-01 |
NCGC00186054-02 |
NCGC00253925-01 |
Tannic acid, tested according to Ph.Eur. |
C17409 |
Tannic acid, Source: Chinese natural gall nuts |
A901485 |
Q427956 |
Q-201780 |
Tannic acid, puriss., meets analytical specification of USP, powder |
Tannic acid, United States Pharmacopeia (USP) Reference Standard |
.Beta.-D-glucopyranose, pentakis3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoate |
beta-D-Glucopyranose pentakis3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoate |
(2R,3R,4S,5R,6S)-4,5,6-tris({3,4-dihydroxy-5-(3,4,5-trihydroxyphenyl)carbonyloxyphenyl}carbonyloxy)-2-({3,4-dihydroxy-5-(3,4,5-trihydroxyphenyl)carbonyloxyphenyl}carbonyloxy)methyloxan-3-yl 3,4-dihydroxy-5-(3,4,5-trihydroxyphenyl)carbonyloxybenzoate |
2,3-dihydroxy-5-(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-benzoyloxytetrahydropyran-2-ylmethoxycarbonylphenyl 3,4,5-trihydroxybenzoate |
Experimental Data
TANNIC ACID
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 200 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 400 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 50 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 25 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 300 | umol/L | NS | N2 | 33683565 | Inactive | |||||||
| Caenorhabditis elegans | 100 | umol/L | 15.42 | 18.08 | 0.17 | 16.04 | 18.86 | 0.18 | S | N2 | 20413530 | Active | |
| Caenorhabditis elegans | 100 | umol/L | 17.6 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 200 | umol/L | 14.46 | 16.08 | 0.11 | 15.48 | 16.93 | 0.09 | S | N2 | 20413530 | Active | |
| Drosophila melanogaster | 1 | mg/mL | 0 | Unclear | Oregon-R | MALES | 8326745 | ||||||
| Caenorhabditis elegans | 100 | umol/L | 19.06 | S | N2 | 33683565 | Active | ||||||
| Drosophila melanogaster | 1 | mg/mL | -2.9 | Unclear | Oregon-R | MALES | 8326745 | Inactive | |||||
| Caenorhabditis elegans | 50 | umol/L | 15.35 | 18 | 0.17 | 15.92 | 18.46 | 0.16 | S | N2 | 20413530 | Active | |
| Caenorhabditis elegans | 25 | umol/L | 15.35 | 16.53 | 0.08 | 15.92 | 17.52 | 0.1 | S | N2 | 20413530 | Active | |
| Caenorhabditis elegans | 300 | umol/L | 13.76 | 14.06 | 0.02 | 14.69 | 14.55 | -0.01 | NS | N2 | 20413530 | Inactive | |
| Caenorhabditis elegans | 300 | umol/L | -0.92 | NS | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 100 | umol/L | 47.2 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 200 | umol/L | 8 | S | N2 | 22493606 | Active | ||||||
| Caenorhabditis elegans | 400 | umol/L | 16.41 | 14.77 | -0.1 | 16.63 | 14.86 | -0.11 | S | N2 | 20413530 | Inactive | |
| Caenorhabditis elegans | 0.01 | % | 21.31 | 26.6 | 0.25 | 27 | 43 | 0.59 | S | N2 | 22114686 | Active | |
| Caenorhabditis elegans | 400 | umol/L | -10.51 | S | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 100 | umol/L | 7.93 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 20.89 | 24.52 | 0.17 | 20.5 | 24.6 | 0.2 | S | N2 | 20413530 | Active | |
| Caenorhabditis elegans | 100 | umol/L | 18 | S | N2 | 22493606 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 26.29 | 30.88 | 0.17 | 25.3 | 30.13 | 0.19 | S | N2 | 20413530 | Active | |
| Caenorhabditis elegans | 25 | umol/L | 10.26 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 9.35 | 15.78 | 0.69 | 10.5 | 15.45 | 0.47 | S | N2 | 20413530 | Active | |
| Drosophila melanogaster | 0.1 | mg/mL | 0 | Unclear | Oregon-R | MALES | 8326745 | ||||||
| Caenorhabditis elegans | 100 | umol/L | 26.29 | 27.25 | 0.04 | 25.3 | 26.98 | 0.07 | NS | N2 | 20413530 | Inactive | |
| Caenorhabditis elegans | 100 | umol/L | 6.57 | NS | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 100 | umol/L | 20.38 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 200 | umol/L | 8.35 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 17.61 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 50 | umol/L | 16.17 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 14.46 | 15.93 | 0.1 | 15.27 | 16.49 | 0.08 | S | N2 | 20413530 | Active |
Experimental Data Visualization
TANNIC ACID
Statistics Data
TANNIC ACID
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 47.2 | 0.59 | 4 | 31 |
| Drosophila melanogaster | 0 | 1 | 3 |
Statistics Data Visualization
TANNIC ACID
