Borrelidin G
| Internal ID | a2f9c86e-61eb-4f34-9779-ede980b26c3b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | trans-(1R,2R)-2-[(2S,4Z,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5-,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 |
| InChI Key | OJCKRNPLOZHAOU-MNKIFKDHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H43NO6 |
| Molecular Weight | 489.60 g/mol |
| Exact Mass | 489.30903809 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 5.60 |
| PD128679 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.81% | 83.82% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.13% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.72% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.75% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.14% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.12% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.79% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.11% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.00% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.05% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.37% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.26% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.89% | 93.04% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.56% | 97.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.67% | 97.05% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.20% | 86.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.79% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.25% | 86.33% |
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 | 12137312 |
| LOTUS | LTS0216935 |
| wikiData | Q105192984 |