Compound Summary
Compound Information
19870-46-3
Compound Name: | 19870-46-3 |
Compound CID: | 6474640 |
Synonyms: | 19870-46-3 1,3-O-Dicaffeoylquinic acid 1,3-Dicaffeoylquinic acid 1,5-Dicaffeoylquinic acid Cynarin More... |
Iupac Name: | (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
InChI: | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
InChIKey: | YDDUMTOHNYZQPO-PSEXTPKNSA-N |
Canonical Smiles: | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
Isomeric Smiles: | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O |
Molecular Weight: | 516.4 |
Molecular Formula: | C25H24O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
19870-46-3
Molecular Weight: | 516.4 |
Molecular Formula: | C25H24O12 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 37 |
Complexity: | 887 |
Synonyms
19870-46-3
| 19870-46-3 | 19870-46-3 |
|---|---|
19870-46-3 |
1,3-O-Dicaffeoylquinic acid |
1,3-Dicaffeoylquinic acid |
1,5-Dicaffeoylquinic acid |
Cynarin |
Dicaffeoylquininic acid |
Cynarine |
1,5-Dicaffeoylquinic-acid |
1,3-di-O-Caffeoylquinic acid |
1,5-di-O-Caffeoylquinic acid |
1,5-O-trans-dicaffeoylquinic acid |
MFCD13196505 |
251320-66-8 |
30964-13-7 |
(1S,3R,4R,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid |
(1S,3R,4R,5R)-1,3-bis(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-4,5-dihydroxy-cyclohexanecarboxylic acid |
1,3-Dicaffeoyl quinic acid |
1,5-Dicaffeoylquinic acid? |
1,5-DCQA |
CHEMBL478574 |
SCHEMBL20886514 |
HY-N1412 |
0210AB |
BDBM50455379 |
s9512 |
ZINC14966421 |
AKOS016011057 |
CS-6268 |
MCULE-7490495386 |
(1S,3R,4R,5R)-1,3-bis(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-4,5-dihydroxycyclohexane-1-carboxylic acid |
(1S,3R,4R,5R)-1,3-Bis3-(3,4-dihydroxyphenyl)acryloyloxy-4,5-dihydroxycyclohexanecarboxylic acid |
AC-34182 |
AS-74956 |
1,5-Dicaffeoylquinic acid, >=98% (HPLC) |
1,5-Dicaffeoylquinic acid, analytical standard |
F21510 |
870D463 |
BRD-K53083666-001-01-0 |
(1S,3R,4R,5R)-1,3-BIS({(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYLOXY})-4,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID |
Cyclohexanecarboxylic acid,1,3-bis3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-4,5-dihydroxy-,(1S,3R,4R,5R)- |
NCGC00380583-01!(1S,3R,4R,5R)-1,3-bis(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-4,5-dihydroxycyclohexane-1-carboxylic acid |
Experimental Data
19870-46-3
| 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 | 50 | umol/L | 18.63 | 20.51 | 10.09 | S | N2 | 34338272 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 18.84 | 20.21 | 7.27 | NS | N2 | 34338272 | Inactive |
Experimental Data Visualization
19870-46-3
Statistics Data
19870-46-3
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 10.09 | 1 | 2 |
Statistics Data Visualization
19870-46-3
