Compound Summary

ellagic acid
  Compound Information
 ellagic acid

Compound Name:

ellagic acid

Compound CID:

5281855

Synonyms:

ellagic acid

476-66-4

Benzoaric acid

Elagostasine

Lagistase

More...

Iupac Name:

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

InChI:

InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

InChIKey:

AFSDNFLWKVMVRB-UHFFFAOYSA-N

Canonical Smiles:

C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O

Isomeric Smiles:

C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O

Molecular Weight:

302.19

Molecular Formula:

C14H6O8

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 ellagic acid

Molecular Weight:

302.19

Molecular Formula:

C14H6O8

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

8

Rotatable Bond Count:

0

Heavy Atom Count:

22

Complexity:

475

  Synonyms
 ellagic acid

ellagic acid ellagic acid

ellagic acid

476-66-4

Benzoaric acid

Elagostasine

Lagistase

2,3,7,8-Tetrahydroxychromeno5,4,3-cdechromene-5,10-dione

Eleagic acid

Alizarine Yellow

Gallogen

Llagic acid

Acide ellagique

Acido elagico

Acidum ellagicum

C.I. 55005

C.I. 75270

Ellagicacid

Ellagate

UNII-19YRN3ZS9P

Gallogen, astringent

MLS000069632

C14H6O8

MFCD00006914

NSC407286

19YRN3ZS9P

CHEMBL6246

SMR000058244

CHEBI:4775

4,4,5,5,6,6-hexahydroxydiphenic acid 2,6,2,6-dilactone

2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione

NSC656272

tetrahydroxy?dione

NSC-407286

NSC-656272

NCGC00017245-02

DSSTox_CID_557

(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-

2,3,7,8-tetrahydroxy1benzopyrano5,4,3-cde1benzopyran-5,10-dione

DSSTox_RID_75657

DSSTox_GSID_20557

Gallogen (VAN)

Gallogen (astringent)

Pomegranate juice

1Benzopyrano5,4,3-cde1benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-

Ellagic acid INN:DCF

CAS-476-66-4

Acido elagico INN-Spanish

CCRIS 774

Acide ellagique INN-French

Acidum ellagicum INN-Latin

SR-01000721925

EINECS 207-508-3

NSC 407286

NSC 656272

BRN 0047549

Benzoarate

Ellagsaeure

Polyphenolic

Eleagate

Ellagic

Llagate

ellagic-acid

Elagic Acid

HSDB 7574

2zjw

REF

Ellagic acid, 96%

Spectrum_001194

Diphenic acid, 4,4,5,5,6,6-hexahydroxy-, di-delta-lactone

Spectrum2_000905

Spectrum3_001535

Spectrum4_000750

Spectrum5_000959

Oprea1_032884

SCHEMBL20429

BSPBio_002950

KBioGR_001080

KBioSS_001674

5-19-07-00108 (Beilstein Handbook Reference)

MLS006011868

BIDD:ER0482

BIDD:GT0565

SPECTRUM1502245

SPBio_000750

BDBM4078

LTK-20

DTXSID2020557

SCHEMBL19184504

BCBcMAP01_000154

cid_5281855

KBio2_001674

KBio2_004242

KBio2_006810

KBio3_002450

Ellagic acid, analytical standard

HMS1921N20

HMS3673M09

Pharmakon1600-01502245

BCP10830

HY-B0183

TNP00132

ZINC3872446

Tox21_110805

6244AF

BBL009292

CCG-36358

NSC758198

s1327

SBB006501

STK801964

Ellagic acid, >=96.0% (HPCE)

2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione

AKOS004120045

Tox21_110805_1

CS-2067

DB08846

EBD2138595

NSC-758198

SDCCGMLS-0066664.P001

SMP1_000111

NCGC00017245-01

NCGC00017245-03

NCGC00017245-04

NCGC00017245-05

NCGC00017245-06

NCGC00017245-07

NCGC00017245-08

NCGC00017245-09

NCGC00017245-10

NCGC00017245-12

NCGC00094975-01

NCGC00094975-02

NCGC00094975-03

NCGC00094975-04

NCGC00178375-01

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo6.6.2.04,16.011,15hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

AC-11647

AC-30710

AS-35095

NCI60_003869

ST057073

SBI-0051742.P002

AB0073029

E0375

Ellagic Acid, Dihydrate - CAS 476-66-4

FT-0603405

MLS-0066664.0001

AB00052292_11

AB00052292_12

A872094

Q422044

SR-01000721925-3

SR-01000721925-4

SR-01000721925-5

SR-01000721925-6

SR-01000721925-7

W-202834

BRD-K30466858-001-05-4

Ellagic acid, primary pharmaceutical reference standard

Ellagic acid, >=95% (HPLC), powder, from tree bark

Diphenic acid,4,5,5,6,6-hexahydroxy-, di-.delta.-lactone

2,3,7,8-Tetrahydroxychromeno5,4,3-cdechromene-5,10-dione #

Diphenic acid, 4,4,5,5,6,6-hexahydroxy-, di-.delta.-lactone

1Benzopyrano5,3-cde1benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-

2,3,7,8-Tetrahydroxy-1benzopyrano5,4,3-cde1benzopyran-5,10-dione

2,3,7,8-TETRAHYDROXY-CHROMENO5,4,3-CDECHROMENE-5,10-DIONE

2,3,7,8-Tetrahydroxy1benzopyrano-5,4,3-cde1benzopyran-5,10-dione

1,2-dicarboxylic acid, 4,4,5,5,6,6-hexahydroxy-, di-.delta.-lactone"

(1,1-Biphenyl)-2,2-dicarboxylic acid, 4,4,5,5,6,6-hexahydroxy-, di-.delta.-lactone

122328-15-8

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo6.6.2.0^{4,16}.0^{11,15}hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo6.6.2.0^{4,16}.0^{11,15}hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

  Experimental Data
 ellagic acid

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 50.000000000000000 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 300.000000000000000 umol/L S N2 33683565
Caenorhabditis elegans 200.000000000000000 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 50.000000000000000 umol/L S N2 33683565
Caenorhabditis elegans 100.000000000000000 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 25.000000000000000 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 50.000000000000000 umol/L 27.000000000000000 29.000000000000000 0.070000000000000 S N2 21805983 Active
Caenorhabditis elegans 50.000000000000000 umol/L -4.300000000000000 NS N2 33683565 Inactive
Caenorhabditis elegans 50.000000000000000 umol/L -4.300000000000000 NS N2 27400265 Inactive
Drosophila melanogaster 10.000000000000000 % 40.500000000000000 48.000000000000000 18.510000000000000 S Canton-S MALES 25566518 Active
Drosophila melanogaster 10.000000000000000 % 43.500000000000000 47.000000000000000 8.000000000000000 S Canton-S FEMALES 25566518 Active
Drosophila melanogaster 0.100000000000000 % 40.500000000000000 42.000000000000000 3.700000000000000 NS Canton-S MALES 25566518 Inactive
Drosophila melanogaster 0.100000000000000 % 43.500000000000000 43.000000000000000 -1.140000000000000 NS Canton-S FEMALES 25566518 Inactive
Drosophila melanogaster 1.000000000000000 % 40.500000000000000 42.000000000000000 3.700000000000000 NS Canton-S MALES 25566518 Inactive
Drosophila melanogaster 5.000000000000000 % 43.500000000000000 44.000000000000000 1.140000000000000 NS Canton-S FEMALES 25566518 Inactive
Drosophila melanogaster 5.000000000000000 % 40.500000000000000 42.000000000000000 3.700000000000000 NS Canton-S MALES 25566518 Inactive
Drosophila melanogaster 1.000000000000000 % 43.500000000000000 43.500000000000000 0.000000000000000 NS Canton-S FEMALES 25566518 Inactive
  Experimental Data Visualization
 ellagic acid

  Statistics Data
 ellagic acid

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans 0.070000000000000 3 9
Drosophila melanogaster 18.510000000000000 1 8
  Statistics Data Visualization
 ellagic acid

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