Cartormin
| Internal ID | 8228a6a7-d9e0-4a11-b8c6-e4d7c0238111 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2-(3,4-dihydroxyoxolan-2-yl)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-6-one |
| SMILES (Canonical) | C1C(C(C(O1)C2=CC3=C(N2)C(C(=O)C(=C3O)C(=O)C=CC4=CC=C(C=C4)O)(C5C(C(C(C(O5)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(O1)C2=CC3=C(N2)C(C(=O)C(=C3O)C(=O)/C=C/C4=CC=C(C=C4)O)(C5C(C(C(C(O5)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C27H29NO13/c29-8-16-20(35)21(36)22(37)26(41-16)27(39)24-12(7-13(28-24)23-19(34)15(32)9-40-23)18(33)17(25(27)38)14(31)6-3-10-1-4-11(30)5-2-10/h1-7,15-16,19-23,26,28-30,32-37,39H,8-9H2/b6-3+ |
| InChI Key | DDYOBOBXPBUGTA-ZZXKWVIFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H29NO13 |
| Molecular Weight | 575.50 g/mol |
| Exact Mass | 575.16388998 g/mol |
| Topological Polar Surface Area (TPSA) | 251.00 Ų |
| XlogP | -2.50 |
| CHEBI:168612 |
| 2-(3,4-dihydroxyoxolan-2-yl)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-6-one |
| 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 | 99.24% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.91% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.23% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.72% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.67% | 95.93% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 95.91% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.08% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.02% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.44% | 89.67% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.18% | 97.28% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.99% | 85.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.50% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.87% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.49% | 90.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.31% | 95.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.07% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.84% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.96% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.56% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.82% | 90.24% |
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.
| Carthamus tinctorius |
| PubChem | 131751684 |
| LOTUS | LTS0099307 |
| wikiData | Q104977000 |