Obelmycin C
| Internal ID | fd2fef2f-e114-4540-b3d0-761d338fc09b |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R,10R)-7-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5R,6R)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6R)-4-(dimethylamino)-5-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H88N2O22/c1-12-60(72)24-39(80-43-21-31(61(8)9)57(29(6)76-43)83-45-23-37(67)58(30(7)78-45)82-41-19-16-34(64)26(3)74-41)48-51(55(71)50-49(54(48)70)52(68)46-35(65)13-14-36(66)47(46)53(50)69)59(60)84-44-22-32(62(10)11)56(28(5)77-44)81-42-20-17-38(27(4)75-42)79-40-18-15-33(63)25(2)73-40/h13-14,25-34,37-45,56-59,63-67,70-72H,12,15-24H2,1-11H3/t25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,37-,38+,39+,40+,41+,42+,43-,44+,45+,56-,57+,58+,59-,60-/m1/s1 |
| InChI Key | GTVYNXUSLXVORL-PFKASXCOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C60H88N2O22 |
| Molecular Weight | 1189.30 g/mol |
| Exact Mass | 1188.58287244 g/mol |
| Topological Polar Surface Area (TPSA) | 313.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 | 99.66% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.43% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.85% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 91.47% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.88% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.53% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.24% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.19% | 96.37% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.07% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.23% | 96.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.73% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.68% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.20% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.36% | 97.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.30% | 94.73% |
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 | 139589240 |
| LOTUS | LTS0074325 |
| wikiData | Q105019553 |