10-(5,6-Dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1(34),2(22),5,24,26(30),31(35),32-heptaen-23-one
| Internal ID | dd813f15-bc46-44ce-bf00-e0f93fea2b11 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 10-(5,6-dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1(34),2(22),5,24,26(30),31(35),32-heptaen-23-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H59NO6/c1-22(2)23(3)10-11-24(4)29-13-14-30-28-20-33-46(21-26(48)16-19-45(46,9)31(28)17-18-44(29,30)8)47-38-40(51)36-34-27(12-15-32(49)35(34)42(38)53-33)41-37(39(36)50)43(6,7)25(5)52-41/h10-12,15,20,22-26,29-31,33,47-50H,13-14,16-19,21H2,1-9H3 |
| InChI Key | NALFSKQMZPEEDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H59NO6 |
| Molecular Weight | 722.00 g/mol |
| Exact Mass | 721.43423860 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 10.70 |
| There are no found synonyms. |
![2D Structure of 10-(5,6-Dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1(34),2(22),5,24,26(30),31(35),32-heptaen-23-one](https://plantaedb.com/storage/docs/compounds/2023/11/34acc900-8682-11ee-b557-ef26a74d6046.jpg "2D Structure of 10-(5,6-Dimethylhept-3-en-2-yl)-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1(34),2(22),5,24,26(30),31(35),32-heptaen-23-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.85% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 98.44% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.36% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.62% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.21% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.53% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.15% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.74% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.34% | 85.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.28% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.39% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.23% | 99.15% |
| CHEMBL240 | Q12809 | HERG | 92.07% | 89.76% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 91.93% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.13% | 97.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.98% | 96.21% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.89% | 85.30% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.09% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.08% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.01% | 93.03% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.55% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.75% | 82.69% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.78% | 80.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 83.97% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.22% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.82% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.78% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.21% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.89% | 83.10% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.72% | 96.67% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.08% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163066215 |
| LOTUS | LTS0171685 |
| wikiData | Q104172226 |