3-[(3R,4R,5S,6R)-6-[[(2S,4S,5S)-5-Amino-4-hydroxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
| Internal ID | f9c15c40-b533-4c17-828c-c67d81433e18 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
| IUPAC Name | 3-[(3R,4R,5S,6R)-6-[[(2S,4S,5S)-5-amino-4-hydroxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H34N4O9/c1-36-31(41)24-22-14-7-3-5-9-17(14)35-26(22)27-23(25(24)32(36)42)15-8-4-6-10-18(15)37(27)33-29(40)28(39)30(43-2)20(46-33)13-45-21-11-19(38)16(34)12-44-21/h3-10,16,19-21,28-30,33,35,38-40H,11-13,34H2,1-2H3/t16-,19-,20+,21-,28+,29+,30+,33?/m0/s1 |
| InChI Key | BPQSCNQWKTWUJX-BRLSZQLLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H34N4O9 |
| Molecular Weight | 630.60 g/mol |
| Exact Mass | 630.23257867 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 0.70 |
| AT2433-B2 |
| 3-[(3R,4R,5S,6R)-6-[[(2S,4S,5S)-5-Amino-4-hydroxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione |
| AT 2433-B2 |
| 5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 12-(6-O-(4-amino-2,4-dideoxypentopyranosyl)-4-O-methylhexopyranosyl)-12,13-dihydor-6-methyl- |
![2D Structure of 3-[(3R,4R,5S,6R)-6-[[(2S,4S,5S)-5-Amino-4-hydroxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cid-124140.jpg "2D Structure of 3-[(3R,4R,5S,6R)-6-[[(2S,4S,5S)-5-Amino-4-hydroxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione")
| 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 | 99.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.70% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.77% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.74% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.38% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.94% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.35% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.59% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.18% | 94.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.83% | 85.94% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.07% | 98.59% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 90.67% | 81.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.52% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.68% | 93.99% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 89.52% | 97.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 89.38% | 88.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 85.90% | 97.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.97% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.66% | 95.93% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.57% | 80.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.12% | 95.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.82% | 95.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.75% | 89.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.15% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.08% | 91.49% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.89% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.26% | 86.33% |
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 | 124140 |
| LOTUS | LTS0066986 |
| wikiData | Q105101362 |