[(2R,4S,5S,7S,8Z,10S,11R,13S)-2-acetyloxy-7,10,13-trihydroxy-4,14,15,15-tetramethyl-3-oxo-5-tricyclo[9.3.1.14,8]hexadeca-1(14),8-dienyl] acetate
Internal ID | 919223a5-80a1-4fc3-a327-2d04b9c810d9 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | [(2R,4S,5S,7S,8Z,10S,11R,13S)-2-acetyloxy-7,10,13-trihydroxy-4,14,15,15-tetramethyl-3-oxo-5-tricyclo[9.3.1.14,8]hexadeca-1(14),8-dienyl] acetate |
SMILES (Canonical) | CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1O)O)C(CC3OC(=O)C)O)C)OC(=O)C |
SMILES (Isomeric) | CC1=C2[C@H](C(=O)[C@]3(C/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1O)O)/[C@H](C[C@@H]3OC(=O)C)O)C)OC(=O)C |
InChI | InChI=1S/C24H34O8/c1-11-16(27)8-15-18(29)7-14-10-24(6,19(9-17(14)28)31-12(2)25)22(30)21(32-13(3)26)20(11)23(15,4)5/h7,15-19,21,27-29H,8-10H2,1-6H3/b14-7-/t15-,16-,17-,18-,19-,21+,24-/m0/s1 |
InChI Key | CINGAFSERHAIKI-BNTICVSBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H34O8 |
Molecular Weight | 450.50 g/mol |
Exact Mass | 450.22536804 g/mol |
Topological Polar Surface Area (TPSA) | 130.00 Ų |
XlogP | 0.10 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.92% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.77% | 83.82% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.70% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.86% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.19% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 87.04% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.87% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.76% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.89% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.57% | 81.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.44% | 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.
Taxus mairei |
PubChem | 163075816 |
LOTUS | LTS0146097 |
wikiData | Q104959981 |