Actinorhodin
| Internal ID | ee887837-dac3-486c-8430-430bab3442d4 |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones |
| IUPAC Name | 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33,39,41,43H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1 |
| InChI Key | MGFJRQUGYNFFDQ-WYUUTHIRSA-N |
| Popularity | 445 references in papers |
| Molecular Formula | C32H26O14 |
| Molecular Weight | 634.50 g/mol |
| Exact Mass | 634.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | 1.90 |
| Actinorhodine |
| 1397-77-9 |
| G4HH387T6Z |
| (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',5,5',10,10'-octahydro-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-, (1R,1'R,3S,3'S)- |
| 2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-Tetrahydroxy-1,1'-Dimethyl-5,5',10,10'-Tetraoxo-3,3',4,4',5,5',10,10'-Octahydro-1h,1'h-8,8'-Bibenzo[g]isochromene-3,3'-Diyl]diacetic Acid |
| UNII-G4HH387T6Z |
| ACTINORHODINE [MI] |
| SCHEMBL95607 |
| CHEBI:2448 |
| SCHEMBL1177648 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.29% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.21% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.50% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.27% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.23% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.89% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.64% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.27% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.85% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.42% | 99.15% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.01% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.01% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 441143 |
| LOTUS | LTS0121050 |
| wikiData | Q76100199 |