(2',10',13'-Triacetyloxy-9'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-phenylprop-2-enoate
Internal ID | a58b3859-710d-4097-b716-7c6bd7614121 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | (2',10',13'-triacetyloxy-9'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-phenylprop-2-enoate |
SMILES (Canonical) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)C=CC5=CC=CC=C5)C)O)OC(=O)C |
SMILES (Isomeric) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)C=CC5=CC=CC=C5)C)O)OC(=O)C |
InChI | InChI=1S/C35H44O10/c1-19-25(42-20(2)36)17-24-29(43-21(3)37)31-34(7,32(40)30(44-22(4)38)28(19)33(24,5)6)16-15-26(35(31)18-41-35)45-27(39)14-13-23-11-9-8-10-12-23/h8-14,24-26,29-32,40H,15-18H2,1-7H3 |
InChI Key | NAZLSPYUXIUGSY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H44O10 |
Molecular Weight | 624.70 g/mol |
Exact Mass | 624.29344760 g/mol |
Topological Polar Surface Area (TPSA) | 138.00 Ų |
XlogP | 3.60 |
There are no found synonyms. |
![2D Structure of (2',10',13'-Triacetyloxy-9'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-phenylprop-2-enoate 2D Structure of (2',10',13'-Triacetyloxy-9'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2de4b930-856e-11ee-89d0-e1228984b796.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 |
---|---|---|---|---|
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.47% | 94.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.98% | 86.33% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.86% | 94.08% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.22% | 96.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.22% | 95.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.06% | 89.00% |
CHEMBL5028 | O14672 | ADAM10 | 90.89% | 97.50% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.79% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 87.81% | 98.95% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.99% | 94.23% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.20% | 81.11% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.18% | 89.44% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.68% | 96.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.65% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.21% | 94.45% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.19% | 97.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.03% | 92.62% |
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 | 78385486 |
LOTUS | LTS0254977 |
wikiData | Q105176663 |