Cyclobuxeine F
Internal ID | b91608ea-6069-4b9b-bc68-55a6e85e885f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | [(1S,3R,4S,6R,7S,8R,16S,17S,20R)-16-benzamido-7-[(1S)-1-(dimethylamino)ethyl]-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.03,11.04,8.017,20]icosa-10,12-dien-6-yl] acetate |
SMILES (Canonical) | CC(C1C(CC2(C1(CC=C3C2CC4C5C(=C3)CCC(C5(CO4)C)NC(=O)C6=CC=CC=C6)C)C)OC(=O)C)N(C)C |
SMILES (Isomeric) | C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3[C@H]2C[C@H]4[C@@H]5C(=C3)CC[C@@H]([C@]5(CO4)C)NC(=O)C6=CC=CC=C6)C)C)OC(=O)C)N(C)C |
InChI | InChI=1S/C35H48N2O4/c1-21(37(6)7)30-28(41-22(2)38)19-35(5)26-18-27-31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-40-27)36-32(39)23-11-9-8-10-12-23/h8-12,15,17,21,26-31H,13-14,16,18-20H2,1-7H3,(H,36,39)/t21-,26+,27-,28+,29-,30-,31-,33+,34+,35-/m0/s1 |
InChI Key | VPLQJQHDLIDIFV-IVCHFRTESA-N |
Popularity | 1 reference in papers |
Molecular Formula | C35H48N2O4 |
Molecular Weight | 560.80 g/mol |
Exact Mass | 560.36140802 g/mol |
Topological Polar Surface Area (TPSA) | 67.90 Ų |
XlogP | 5.10 |
CHEMBL508560 |
![2D Structure of Cyclobuxeine F 2D Structure of Cyclobuxeine F](https://plantaedb.com/storage/docs/compounds/2023/11/cyclobuxeine-f.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.69% | 90.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
CHEMBL5028 | O14672 | ADAM10 | 92.22% | 97.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.07% | 95.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.01% | 95.93% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.63% | 91.19% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.94% | 94.08% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.37% | 94.62% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.99% | 89.67% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.40% | 99.17% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.32% | 97.14% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.20% | 89.44% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.08% | 96.47% |
CHEMBL205 | P00918 | Carbonic anhydrase II | 84.21% | 98.44% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.02% | 95.71% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.56% | 98.75% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.30% | 95.89% |
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.
Buxus balearica |
PubChem | 10370577 |
LOTUS | LTS0248827 |
wikiData | Q104888266 |