Minutissamide I
| Internal ID | 5a010b5e-59f7-4bcf-ac33-5faad2981e9b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 3-[(3S,6S,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-6-[(1R)-1-methoxyethyl]-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-13-oxohexadecan-2-yl]-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H98N12O17/c1-11-22-36(73)24-20-18-16-14-13-15-17-19-23-32(5)45-49(77)56(84)65-44(31(3)4)53(81)62-37(12-2)51(79)67-47(34(7)72)55(83)68-46(33(6)71)54(82)63-38(26-27-41(59)74)50(78)61-30-43(76)64-48(35(8)87-10)58(86)69(9)40(29-42(60)75)57(85)70-28-21-25-39(70)52(80)66-45/h12,31-35,38-40,44-49,71-72,77H,11,13-30H2,1-10H3,(H2,59,74)(H2,60,75)(H,61,78)(H,62,81)(H,63,82)(H,64,76)(H,65,84)(H,66,80)(H,67,79)(H,68,83)/b37-12+/t32-,33+,34+,35+,38-,39-,40-,44-,45+,46-,47-,48-,49+/m0/s1 |
| InChI Key | AMMOFLIZXVOQED-SQXQCVBBSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C58H98N12O17 |
| Molecular Weight | 1235.50 g/mol |
| Exact Mass | 1234.71728970 g/mol |
| Topological Polar Surface Area (TPSA) | 447.00 Ų |
| XlogP | 0.90 |
| (-)-Minutissamide I |
| CHEMBL2148020 |
| 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 | 99.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.58% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 99.01% | 95.92% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.57% | 94.66% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.42% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.22% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.19% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 97.84% | 82.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.55% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 96.06% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.84% | 96.61% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 95.55% | 94.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 95.20% | 95.50% |
| CHEMBL4071 | P08311 | Cathepsin G | 95.06% | 94.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.80% | 92.97% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.55% | 90.17% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.18% | 96.31% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.47% | 97.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.35% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.19% | 91.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.14% | 95.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.07% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.84% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.84% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.53% | 90.71% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 89.24% | 92.50% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.98% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.68% | 95.93% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.27% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.83% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.47% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.40% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.08% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.00% | 93.03% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.88% | 95.51% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.72% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.19% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.13% | 96.47% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.05% | 96.43% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.03% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.94% | 99.23% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 84.81% | 94.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.31% | 85.83% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.52% | 93.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.26% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.04% | 82.69% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.75% | 97.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.78% | 89.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.78% | 98.03% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.76% | 97.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.57% | 97.29% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.56% | 92.94% |
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 | 71460174 |
| LOTUS | LTS0100420 |
| wikiData | Q105096387 |