Nanjiol C
| Internal ID | 20304a51-d484-40dd-b404-2e305fb57390 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | [(8S,9S,10R,13S,14S,16S,17R)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| SMILES (Canonical) | CC(C)CCCC(C)(C1C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C)O |
| SMILES (Isomeric) | CC(C)CCC[C@@](C)([C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C)O |
| InChI | InChI=1S/C29H46O4/c1-18(2)8-7-13-29(6,32)26-25(33-19(3)30)17-24-22-10-9-20-16-21(31)11-14-27(20,4)23(22)12-15-28(24,26)5/h16,18,22-26,32H,7-15,17H2,1-6H3/t22-,23+,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChI Key | WDDRMCUVHMBDRI-QLMDCSLCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.10 |
| [(8S,9S,10R,13S,14S,16S,17R)-17-[(2S)-2-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.14% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.89% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.45% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.18% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.98% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.66% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.26% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.26% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.82% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.61% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.24% | 93.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.90% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.67% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.48% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.82% | 97.14% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.74% | 98.10% |
| CHEMBL5028 | O14672 | ADAM10 | 83.19% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.52% | 94.08% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.05% | 95.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.45% | 97.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.24% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.50% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.17% | 95.56% |
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 | 11091760 |
| LOTUS | LTS0071120 |
| wikiData | Q105302286 |