Cadabicine diacetate
Internal ID | 39b21ca6-5521-4447-84da-8fa293711492 |
Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
IUPAC Name | [(8Z,22E)-16-acetyl-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaen-4-yl] acetate |
SMILES (Canonical) | CC(=O)N1CCCCNC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC3=CC=C(C=C3)C=CC(=O)NCCC1 |
SMILES (Isomeric) | CC(=O)N1CCCCNC(=O)/C=C\C2=CC(=C(C=C2)OC(=O)C)OC3=CC=C(C=C3)/C=C/C(=O)NCCC1 |
InChI | InChI=1S/C29H33N3O6/c1-21(33)32-18-4-3-16-30-29(36)15-10-24-8-13-26(37-22(2)34)27(20-24)38-25-11-6-23(7-12-25)9-14-28(35)31-17-5-19-32/h6-15,20H,3-5,16-19H2,1-2H3,(H,30,36)(H,31,35)/b14-9+,15-10- |
InChI Key | BPYMTHTWCPMYQF-BMJMZVRVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H33N3O6 |
Molecular Weight | 519.60 g/mol |
Exact Mass | 519.23693578 g/mol |
Topological Polar Surface Area (TPSA) | 114.00 Ų |
XlogP | 3.10 |
N,O-Diacetylcadabicine |
N-Acetylcadabicine acetate |
99964-84-8 |
2-Oxa-11,16,20-triazatricyclo(22.2.2.13,7)nonacosa-3,5,7(29),8,22,24,26,27-octaene-10,21-dione, 16-acetyl-4-(acetyloxy)-, (E,E)- |
![2D Structure of Cadabicine diacetate 2D Structure of Cadabicine diacetate](https://plantaedb.com/storage/docs/compounds/2023/11/cadabicine-diacetate.jpg)
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 | 98.63% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.25% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 92.79% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.06% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.75% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.12% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.09% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.37% | 94.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.02% | 91.11% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.20% | 90.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.92% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.12% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.82% | 95.56% |
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.
Crateva religiosa |
PubChem | 6442584 |
LOTUS | LTS0085781 |
wikiData | Q104944216 |