Cervimycin D
| Internal ID | f188f8c8-0fbc-402c-a18c-896b78d865f8 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | 3-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2R,3S,6S)-6-[[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,10-tetraoxo-12,12a-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-oxopropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H79NO25/c1-24(58(70)71)59(72)84-40-13-18-45(77-30(40)7)82-37-11-16-43(75-27(37)4)81-36-10-17-44(76-26(36)3)83-38-12-19-46(78-28(38)5)85-54-33-22-31-21-32-49(35(63)23-41(73-8)51(32)64)52(65)48(31)55(67)60(33,56(68)50(53(54)66)57(61)69)86-47-20-14-39(29(6)79-47)80-42-15-9-34(62)25(2)74-42/h21,23-30,33-34,36-40,42-47,54,62,65,68H,9-20,22H2,1-8H3,(H2,61,69)(H,70,71)/t24?,25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,60-/m1/s1 |
| InChI Key | YQSUNUWAYVGFKR-DIMVSIEISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C60H79NO25 |
| Molecular Weight | 1214.30 g/mol |
| Exact Mass | 1213.49411701 g/mol |
| Topological Polar Surface Area (TPSA) | 356.00 Ų |
| XlogP | 6.10 |
| 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 | 99.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.59% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.07% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.99% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.53% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.60% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.85% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.42% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.28% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.43% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.97% | 96.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.61% | 85.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.29% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.90% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.77% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.85% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.68% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 84.14% | 94.05% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.80% | 94.42% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.63% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.27% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.72% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.71% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.52% | 96.47% |
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 | 54677926 |
| LOTUS | LTS0069281 |
| wikiData | Q75062834 |