36-Chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone
| Internal ID | 11f9e9cb-2800-4788-b168-8a61dbf279ee |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 36-chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H49ClN10O8/c1-17(2)27-33(53)46-24(10-7-13-39-46)32(52)45-22(8-5-12-38-45)30(50)42(4)18(3)29(49)44-23(9-6-11-37-44)31(51)43-25(28(48)41-27)16-35(54)19-14-26(47)20(36)15-21(19)40-34(35)43/h14-15,17-18,22-25,27,34,37-40,47,54H,5-13,16H2,1-4H3,(H,41,48) |
| InChI Key | BZYROHYGAOMEOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H49ClN10O8 |
| Molecular Weight | 773.30 g/mol |
| Exact Mass | 772.3423363 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 36-Chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/e6179ec0-85cf-11ee-b03d-5f52cd2a356b.jpg "2D Structure of 36-Chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.20% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.75% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.46% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.71% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.84% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.58% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.54% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 93.42% | 95.34% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.35% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.23% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.77% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.60% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.21% | 94.45% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.02% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.28% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.99% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.07% | 90.24% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 88.01% | 80.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.84% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.10% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.04% | 95.50% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.93% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.58% | 96.61% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.44% | 99.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.44% | 89.62% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.27% | 85.11% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.23% | 85.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.89% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.29% | 98.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.18% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.00% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.73% | 86.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.18% | 98.75% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.99% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.29% | 93.99% |
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 | 78089307 |
| LOTUS | LTS0113463 |
| wikiData | Q103817190 |