Cinnamomin
| Internal ID | 3ab4d7d8-9b66-4b27-bad4-f25938fd9f13 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[2-[2-[[2-[[5-amino-2-[[5-amino-2-[[2-[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[3-hydroxy-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C=O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C(C)O)N |
| SMILES (Isomeric) | CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C=O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C(C)O)N |
| InChI | InChI=1S/C100H168N26O37S/c1-18-45(8)74(96(159)115-62(33-42(2)3)87(150)118-66(39-130)91(154)112-61(28-31-71(140)141)84(147)117-65(38-129)90(153)109-56(36-127)37-128)122-92(155)67(40-131)119-95(158)73(44(6)7)121-89(152)63(34-43(4)5)116-100(163)78(54(17)136)125-85(148)58(21-19-20-32-101)110-88(151)64(35-55-22-24-57(137)25-23-55)114-80(143)47(10)105-79(142)46(9)107-97(160)75(51(14)133)124-86(149)60(27-30-70(103)139)111-83(146)59(26-29-69(102)138)113-99(162)77(53(16)135)123-82(145)49(12)108-98(161)76(52(15)134)126-93(156)68(41-164)120-81(144)48(11)106-94(157)72(104)50(13)132/h22-25,36,42-54,56,58-68,72-78,128-137,164H,18-21,26-35,37-41,101,104H2,1-17H3,(H2,102,138)(H2,103,139)(H,105,142)(H,106,157)(H,107,160)(H,108,161)(H,109,153)(H,110,151)(H,111,146)(H,112,154)(H,113,162)(H,114,143)(H,115,159)(H,116,163)(H,117,147)(H,118,150)(H,119,158)(H,120,144)(H,121,152)(H,122,155)(H,123,145)(H,124,149)(H,125,148)(H,126,156)(H,140,141) |
| InChI Key | VPULFZZKDBGLPS-UHFFFAOYSA-N |
| Popularity | 43 references in papers |
| Molecular Formula | C100H168N26O37S |
| Molecular Weight | 2358.60 g/mol |
| Exact Mass | 2358.1817964 g/mol |
| Topological Polar Surface Area (TPSA) | 1040.00 Ų |
| XlogP | -12.90 |
| There are no found synonyms. |
| 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 | 99.88% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.85% | 96.61% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 99.48% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.92% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 98.76% | 100.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 98.22% | 96.85% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.10% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.79% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.73% | 93.56% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 96.73% | 98.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.66% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.77% | 98.05% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 92.76% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.01% | 90.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.90% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 91.23% | 96.90% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 91.20% | 91.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.17% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.93% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.90% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.64% | 95.50% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.45% | 98.35% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.18% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.44% | 90.24% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.96% | 97.06% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 86.82% | 98.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.55% | 99.35% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.89% | 96.37% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 85.87% | 94.55% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.59% | 95.89% |
| CHEMBL2163183 | Q9NXA8 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 85.57% | 96.53% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 84.76% | 96.67% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 84.18% | 88.42% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.61% | 92.32% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.35% | 91.11% |
| CHEMBL3984 | Q99640 | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 83.21% | 85.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.16% | 91.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.40% | 95.00% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.33% | 94.64% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.28% | 93.18% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.50% | 91.19% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.49% | 97.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.30% | 93.04% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.56% | 97.29% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.46% | 95.38% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.01% | 100.00% |
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.
| Cinnamomum camphora |
| PubChem | 139584655 |
| LOTUS | LTS0214565 |
| wikiData | Q77373339 |