Kitamycin B
| Internal ID | ef9a1c4e-dcf3-4e67-8064-d51b0e28e3e1 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives |
| IUPAC Name | 3-formamido-2-hydroxy-N-[(2R,3S,6S,7R,8R)-7-hydroxy-2,6-dimethyl-8-(4-methylpentyl)-4,9-dioxo-1,5-dioxonan-3-yl]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32N2O8/c1-12(2)7-5-9-16-19(27)14(4)33-23(31)18(13(3)32-22(16)30)25-21(29)15-8-6-10-17(20(15)28)24-11-26/h6,8,10-14,16,18-19,27-28H,5,7,9H2,1-4H3,(H,24,26)(H,25,29)/t13-,14+,16-,18+,19+/m1/s1 |
| InChI Key | NEORHEBDENAITQ-KZYWPTACSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H32N2O8 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21586598 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 3.20 |
| 3-Formamido-2-hydroxy-N-[(2R,3S,6S,7R,8R)-7-hydroxy-2,6-dimethyl-8-(4-methylpentyl)-4,9-dioxo-1,5-dioxonan-3-yl]benzamide |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.70% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.12% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.69% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.60% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.89% | 94.73% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.03% | 95.58% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.82% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.57% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.51% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.08% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.10% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.84% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.66% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.01% | 96.00% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.00% | 85.83% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.26% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.13% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.09% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.83% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.37% | 97.25% |
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 | 10600202 |
| LOTUS | LTS0054174 |
| wikiData | Q77490731 |