(2',9',13'-Triacetyloxy-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-(dimethylamino)-3-phenylpropanoate
Internal ID | d9e8e2e2-27b5-4570-98d5-9324badffd25 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | (2',9',13'-triacetyloxy-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-(dimethylamino)-3-phenylpropanoate |
SMILES (Canonical) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)CC(C5=CC=CC=C5)N(C)C)C)OC(=O)C)O |
SMILES (Isomeric) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)CC(C5=CC=CC=C5)N(C)C)C)OC(=O)C)O |
InChI | InChI=1S/C37H51NO10/c1-20-27(45-21(2)39)17-25-32(46-22(3)40)33-36(7,34(47-23(4)41)31(43)30(20)35(25,5)6)16-15-28(37(33)19-44-37)48-29(42)18-26(38(8)9)24-13-11-10-12-14-24/h10-14,25-28,31-34,43H,15-19H2,1-9H3 |
InChI Key | LXAYMJMHDMSCLZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H51NO10 |
Molecular Weight | 669.80 g/mol |
Exact Mass | 669.35129682 g/mol |
Topological Polar Surface Area (TPSA) | 141.00 Ų |
XlogP | 3.00 |
There are no found synonyms. |
![2D Structure of (2',9',13'-Triacetyloxy-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-(dimethylamino)-3-phenylpropanoate 2D Structure of (2',9',13'-Triacetyloxy-10'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-(dimethylamino)-3-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8d2b7110-85d5-11ee-8dce-2522c5b0c13a.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 | 98.21% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.99% | 90.17% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.77% | 94.62% |
CHEMBL2581 | P07339 | Cathepsin D | 95.08% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.40% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.08% | 94.08% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.40% | 95.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.90% | 91.19% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 89.62% | 89.44% |
CHEMBL5028 | O14672 | ADAM10 | 89.03% | 97.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.68% | 86.33% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.50% | 93.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.76% | 92.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.68% | 89.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.43% | 95.89% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.80% | 94.23% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.00% | 96.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.03% | 96.47% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.57% | 99.23% |
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.
Prumnopitys andina |
PubChem | 14446201 |
LOTUS | LTS0161039 |
wikiData | Q105158733 |