Dichrostachine N
| Internal ID | b9ad0d02-2ea7-4d87-8f8a-21d115d520c8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,8R,8aS)-8-[[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl]-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42O10/c1-18-8-9-22-33(43)28(46-7)14-30(42)37(22,31-13-26(41)32-25(40)10-21(45-6)11-27(32)47-31)23(18)17-36(44)19(2)24(39)12-29-34(3,4)15-20(38)16-35(29,36)5/h8,10-11,13-14,20,22-23,29,38,40,44H,2,9,12,15-17H2,1,3-7H3/t20-,22-,23+,29-,35-,36+,37-/m0/s1 |
| InChI Key | FMZMUHWPKKFIMW-LDCCHIFSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H42O10 |
| Molecular Weight | 646.70 g/mol |
| Exact Mass | 646.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 3.50 |
| (4aR,8R,8aS)-8-(((1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl)methyl)-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione |
| (4aR,8R,8aS)-8-[[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl]-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione |
| RefChem:133152 |
| CHEMBL1077626 |
| 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 | 99.55% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.08% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.14% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.79% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.71% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.04% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.58% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.67% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.57% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.23% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.04% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.40% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.13% | 97.14% |
| CHEMBL3194 | P02766 | Transthyretin | 84.05% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.64% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.76% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.73% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.12% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
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.
| Dichrostachys cinerea |
| PubChem | 44557284 |
| LOTUS | LTS0077331 |
| wikiData | Q104998163 |