(2S,5R,10S,14R,15S,16S,17Z)-15-hydroxy-2-[(1E,3S,6R,7E)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone
| Internal ID | 60139892-d598-4e5d-b5c8-9fbd46113a1f |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (2S,5R,10S,14R,15S,16S,17Z)-15-hydroxy-2-[(1E,3S,6R,7E)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H53NO7/c1-9-10-22(3)29(36)17-12-21(2)11-15-28-16-13-23(4)31(38)20-32(39)35-26(7)14-18-30(37)27(8)33(40)24(5)19-25(6)34(41)42-28/h9-11,15,19,21,23-24,26-29,33,36,40H,1,12-14,16-18,20H2,2-8H3,(H,35,39)/b15-11+,22-10+,25-19-/t21-,23-,24+,26+,27+,28-,29-,33+/m1/s1 |
| InChI Key | GRCRWFPQJFBHLG-OTMRSYOVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H53NO7 |
| Molecular Weight | 587.80 g/mol |
| Exact Mass | 587.38220303 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (2S,5R,10S,14R,15S,16S,17Z)-15-hydroxy-2-[(1E,3S,6R,7E)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/f8bbc2a0-8569-11ee-9d6b-ebb6c2ed6806.jpg "2D Structure of (2S,5R,10S,14R,15S,16S,17Z)-15-hydroxy-2-[(1E,3S,6R,7E)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.65% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.12% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.50% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.95% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.64% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.74% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.26% | 97.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.18% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.28% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.08% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.14% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.03% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.25% | 95.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.74% | 98.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.55% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.38% | 88.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.97% | 90.71% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.85% | 97.63% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.78% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.51% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.23% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.48% | 98.75% |
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 | 162888651 |
| LOTUS | LTS0075129 |
| wikiData | Q105015743 |