5,21-Dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Internal ID | 68209182-08f8-4344-9bd0-c50d9b5dae3c |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
IUPAC Name | 5,21-dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione |
SMILES (Canonical) | COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO |
SMILES (Isomeric) | COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO |
InChI | InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37) |
InChI Key | QEHOIJJIZXRMAN-UHFFFAOYSA-N |
Popularity | 6 references in papers |
Molecular Formula | C27H21Cl2N3O7 |
Molecular Weight | 570.40 g/mol |
Exact Mass | 569.0756554 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | 2.60 |
5,21-Dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione |
NSC359079 |
NSC-359079 |
Neuro_000196 |
CHEMBL27000 |
SCHEMBL12961242 |
ICX5609244 |
NCI60_003256 |
SMR001565446 |
A20190 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 98.91% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 96.64% | 86.92% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.56% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.15% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.01% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.76% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.56% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.63% | 97.09% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 88.35% | 97.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.13% | 97.25% |
CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 87.63% | 95.71% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 86.86% | 80.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.68% | 89.00% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.01% | 90.08% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.29% | 89.63% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.68% | 93.99% |
CHEMBL220 | P22303 | Acetylcholinesterase | 83.15% | 94.45% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.75% | 97.14% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 82.71% | 97.78% |
CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 82.34% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.38% | 85.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.11% | 92.62% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.40% | 85.94% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.36% | 96.00% |
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.
Schizanthus grahamii |
PubChem | 5043 |
LOTUS | LTS0154938 |
wikiData | Q104966553 |