Compound Summary
CARMINIC ACID
Compound Information
CARMINIC ACID
Compound Name: | CARMINIC ACID |
Compound CID: | 10255083 |
Synonyms: | CARMINIC ACID 1260-17-9 Natural red 4 Carmine Coccinellin More... |
Iupac Name: | 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid |
InChI: | InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1 |
InChIKey: | DGQLVPJVXFOQEV-JNVSTXMASA-N |
Canonical Smiles: | CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O |
Isomeric Smiles: | CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Molecular Weight: | 492.4 |
Molecular Formula: | C22H20O13 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CARMINIC ACID
Molecular Weight: | 492.4 |
Molecular Formula: | C22H20O13 |
Hydrogen Bond Donor Count: | 9 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 35 |
Complexity: | 864 |
Synonyms
CARMINIC ACID
| CARMINIC ACID | CARMINIC ACID |
|---|---|
CARMINIC ACID |
1260-17-9 |
Natural red 4 |
Carmine |
Coccinellin |
Cochineal extract |
Cochineal tincture |
Cochineal |
Sanred 1 |
Coccus cacti extract |
CI Natural Red 4 |
Sun Red 1 |
Sun Red No. 1 |
C.I. Natural red 4 |
UNII-CID8Z8N95N |
3,5,6,8-Tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid |
MFCD00167028 |
2-Anthracenecarboxylic acid, 7-beta-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo- |
C.I. 75470 |
CID8Z8N95N |
San-Ei Gen San Red 1 |
DSSTox_CID_2817 |
1390-65-4 |
DSSTox_RID_76743 |
DSSTox_RID_81084 |
DSSTox_GSID_22817 |
DSSTox_GSID_45735 |
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylanthracene-2-carboxylic acid |
E 120 |
E120 |
(1S)-1,5-anhydro-1-(7-carboxy-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol |
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylanthracene-2-carboxylic acid |
CAS-1260-17-9 |
CAS-1343-78-8 |
E 120 (dye) |
CCRIS 1397 |
HSDB 912 |
NSC 6196 |
EINECS 215-023-3 |
Carminic acid, primary pharmaceutical reference standard |
NSC 326224 |
CHEBI:78310 |
UNII-TZ8Z31B35M |
CI 75470 |
Cochenille dye |
AI3-18242 |
Cochineal, dye |
Cochineal (dye) |
Cochineal solution |
NCGC00091708-04 |
C22H20O13 |
ENJI |
Carminic acid (E120) |
2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo- |
7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid |
Cochineal concentrate type M |
Cochineal concentrate type P |
7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid |
MLS002472940 |
Cochineal concentrate -7-fold |
Carminic acid, puriss., 95% |
CCRIS 4511 |
CHEMBL263094 |
SCHEMBL1808534 |
TZ8Z31B35M |
DTXSID9022817 |
Carminic acid, analytical standard |
HMS2205G17 |
2-Anthracenecarboxylic acid, 7-ss-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo- |
CARMINIC ACID (NATURAL DYE) |
EINECS 215-680-6 |
Tox21_111163 |
Tox21_201979 |
Tox21_300294 |
ZINC28095922 |
AKOS015894273 |
Tox21_111163_1 |
NCGC00247988-01 |
NCGC00247988-02 |
NCGC00247988-03 |
NCGC00254004-01 |
NCGC00259528-01 |
AS-76171 |
O078 |
SMR001397048 |
Q416860 |
W-108224 |
Carminic acid (E120) 100 microg/mL in Acetonitrile:Methanol |
Experimental Data
CARMINIC 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 0.000250000000000 | mg/mL | 62.340000000000000 | 43.220000000000000 | -0.310000000000000 | S | 31137639 | Inactive | |||||
| Drosophila melanogaster | 0.000025000000000 | mg/mL | 62.340000000000000 | 44.960000000000000 | -0.280000000000000 | S | 31137639 | Inactive | |||||
| Drosophila melanogaster | 0.025000000000000 | mg/mL | 62.340000000000000 | 47.000000000000000 | -0.250000000000000 | S | 31137639 | Inactive | |||||
| Drosophila melanogaster | 0.250000000000000 | mg/mL | 62.340000000000000 | 48.210000000000000 | -0.230000000000000 | S | 31137639 | Inactive | |||||
| Drosophila melanogaster | 0.002500000000000 | mg/mL | 62.340000000000000 | 45.520000000000000 | -0.270000000000000 | S | 31137639 | Inactive | |||||
| Drosophila melanogaster | 2.500000000000000 | mg/mL | 62.340000000000000 | 44.240000000000000 | -0.290000000000000 | S | 31137639 | Inactive |
Experimental Data Visualization
CARMINIC ACID
Statistics Data
CARMINIC ACID
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | -0.230000000000000 | 1 | 6 |
Statistics Data Visualization
CARMINIC ACID
