Asperindole A
| Internal ID | 30b1b46a-6076-4dc2-a590-f00ea1d14348 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(1R,4R,5S,16S,19S,23R,24S)-10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8(13),9,11,20-pentaen-24-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32ClNO6/c1-15(32)36-25(2)14-35-29-10-9-26(3)27(4)16(7-8-28(26,34)22(29)13-21(33)24(25)37-29)11-19-18-6-5-17(30)12-20(18)31-23(19)27/h5-6,12-13,16,24,31,34H,7-11,14H2,1-4H3/t16-,24-,25-,26+,27+,28+,29+/m0/s1 |
| InChI Key | TXNJCXRRMWHWPI-VZTTULSBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H32ClNO6 |
| Molecular Weight | 526.00 g/mol |
| Exact Mass | 525.1918154 g/mol |
| Topological Polar Surface Area (TPSA) | 97.90 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.92% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.40% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.17% | 94.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.09% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.58% | 93.40% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 93.52% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.88% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.71% | 89.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.26% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.07% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.05% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.77% | 85.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.70% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.98% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.65% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.34% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.03% | 98.59% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.64% | 92.51% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.40% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.09% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.09% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.41% | 95.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.36% | 94.08% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.99% | 95.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.29% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.02% | 92.94% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.71% | 85.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.48% | 92.88% |
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 | 139590649 |
| LOTUS | LTS0125258 |
| wikiData | Q105266864 |