Callichiline
| Internal ID | 29036415-f41c-4b5d-8347-81734cbc913b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | methyl (1R,1'S,4'R,6'R,10'S,12R,14'S,15'R,16S,17R,22R)-18'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,2'-9-oxa-13,16-diazaheptacyclo[11.9.2.01,15.04,15.06,10.06,14.017,22]tetracosa-17(22),18,20-triene]-10-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-24-20-37-13-18-50-30(37)10-15-45(35(37)42)17-12-41(27,42)39(21-24)23-46-16-11-40-26-6-3-4-8-28(26)43-32(40)25(33(47)49-2)22-38(34(40)46)14-19-51-36(38)39/h3-9,24,30,34-36,43-44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38-,39+,40-,41-,42-/m0/s1 |
| InChI Key | AXSFWIGDSYMZQJ-JSVKVMEJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H48N4O5 |
| Molecular Weight | 688.90 g/mol |
| Exact Mass | 688.36247064 g/mol |
| Topological Polar Surface Area (TPSA) | 84.50 Ų |
| XlogP | 4.50 |
| 31230-09-8 |
| methyl (1R,1'S,4'R,6'R,10'S,12R,14'S,15'R,16S,17R,22R)-18'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,2'-9-oxa-13,16-diazaheptacyclo[11.9.2.01,15.04,15.06,10.06,14.017,22]tetracosa-17(22),18,20-triene]-10-carboxylate |
| C09088 |
| CHEBI:3322 |
| DTXSID00420143 |
| Q27106022 |
| Methyl (2'R,2'aS,3aS,5'aR,8aR,12'bR,13aR,14R,15aR,15'aR,15bS)-12-methoxy-1,2,4,4',5,5',6',7,8,8',13',14,14',15-tetradecahydro-1'H,2'aH,3aH,13H,15'aH,15bH-spiro[8a,14-ethanocyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2'-furo[2',3':7,8]indolizino[8,1-cd]carbazole]-7'-carboxylate |
| 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 | 99.70% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.81% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.88% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.81% | 97.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.70% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.66% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.05% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.69% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.22% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 86.78% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.63% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.01% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.34% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.52% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.52% | 97.28% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.38% | 82.69% |
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.
| Callichilia subsessilis |
| PubChem | 5462424 |
| LOTUS | LTS0080086 |
| wikiData | Q27106022 |