Maytansinol isovalerate
| Internal ID | 903e224c-b4ef-4402-915c-f79a512376d7 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | [(1S,2R,3R,5S,6R,16E,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H45ClN2O9/c1-18(2)12-28(38)44-26-16-27(37)36(6)22-14-21(15-23(41-7)29(22)34)13-19(3)10-9-11-25(42-8)33(40)17-24(43-31(39)35-33)20(4)30-32(26,5)45-30/h9-11,14-15,18,20,24-26,30,40H,12-13,16-17H2,1-8H3,(H,35,39)/b11-9-,19-10+/t20-,24+,25-,26-,30-,32+,33+/m1/s1 |
| InChI Key | BGEJBAMYTJMJPW-XVZAFFKESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C33H45ClN2O9 |
| Molecular Weight | 649.20 g/mol |
| Exact Mass | 648.2813587 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.30 |
| Ansamitocin P-4 |
| C-15003 P-4 |
| 66547-10-2 |
| BRN 5416771 |
| NSC 292223 |
| 3-De(2-(acetylmethylamino)propionyloxy)-3-hydroxymaytansine isovalerate (ester) |
| Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-3-hydroxy-, isovalerate (ester) |
| 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 | 99.35% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.18% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.03% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.63% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.70% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.30% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.08% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.34% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.27% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.26% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.92% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.42% | 89.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.60% | 95.00% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 83.89% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.59% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.62% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.46% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.86% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.62% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.39% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.05% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 71300940 |
| LOTUS | LTS0079795 |
| wikiData | Q76755618 |