(3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
| Internal ID | 67a4eba2-dc77-4e1a-9fd8-0b0425ffe091 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H60O9/c1-12-14-30(39)24(4)17-18-31(40)27(7)36(43)29(9)37-32(45-10)16-13-15-22(2)19-25(5)34(41)28(8)35(42)26(6)20-23(3)21-33(46-11)38(44)47-37/h12-18,20-21,24-30,32,34-37,39,41-43H,19H2,1-11H3/b14-12+,16-13-,18-17+,22-15-,23-20-,33-21+/t24?,25-,26-,27-,28+,29+,30?,32+,34+,35-,36+,37?/m1/s1 |
| InChI Key | QPGTXBRGXJNRGI-XRSZMTPCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H60O9 |
| Molecular Weight | 660.90 g/mol |
| Exact Mass | 660.42373349 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 5.50 |
| SCHEMBL29885635 |
![2D Structure of (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/concanamycin-g.jpg "2D Structure of (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.27% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.73% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.38% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.11% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.67% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.55% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.02% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.33% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.45% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.74% | 91.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.65% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.64% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.59% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.96% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.57% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 6444259 |
| LOTUS | LTS0136960 |
| wikiData | Q105225375 |