(3-Acetyloxy-2,10,11-trihydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate
Internal ID | 5eebe55a-2937-4a3a-9746-2ade1098da6b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | (3-acetyloxy-2,10,11-trihydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate |
SMILES (Canonical) | CC1C(=O)CC2(C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)O)O)O |
SMILES (Isomeric) | CC1C(=O)CC2(C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)O)O)O |
InChI | InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3 |
InChI Key | BTASCTDNNBFHIV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H38O8 |
Molecular Weight | 538.60 g/mol |
Exact Mass | 538.25666817 g/mol |
Topological Polar Surface Area (TPSA) | 130.00 Ų |
XlogP | 2.50 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.18% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.23% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.05% | 94.62% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.74% | 90.17% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.35% | 83.82% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.88% | 93.00% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.68% | 94.08% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.26% | 95.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.82% | 85.14% |
CHEMBL5028 | O14672 | ADAM10 | 83.60% | 97.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.85% | 96.00% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.28% | 96.25% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.79% | 91.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.65% | 95.89% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.39% | 91.07% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.16% | 97.09% |
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.
Taxus baccata |
PubChem | 78384678 |
LOTUS | LTS0170112 |
wikiData | Q104945495 |