[5,6,8-Triacetyloxy-2,4,10-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate
Internal ID | ff6c3830-5fec-4117-b14d-a46ef24c9172 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | [5,6,8-triacetyloxy-2,4,10-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate |
SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C(C3C(C2(CC1O)C(C)(C)O)O)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
SMILES (Isomeric) | CC1=C2C(C(C3(C(CC(C(C3C(C2(CC1O)C(C)(C)O)O)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
InChI | InChI=1S/C28H42O12/c1-12-18(33)10-28(26(6,7)36)21(12)23(34)25(40-16(5)32)27(8)20(39-15(4)31)9-19(38-14(3)30)17(11-37-13(2)29)22(27)24(28)35/h17-20,22-25,33-36H,9-11H2,1-8H3 |
InChI Key | TXBJKSOTSLHNLL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H42O12 |
Molecular Weight | 570.60 g/mol |
Exact Mass | 570.26762677 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | -0.30 |
There are no found synonyms. |
![2D Structure of [5,6,8-Triacetyloxy-2,4,10-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate 2D Structure of [5,6,8-Triacetyloxy-2,4,10-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4edeb440-85b5-11ee-809a-43a1742cb41d.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 | 98.51% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.98% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.45% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.00% | 90.93% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 88.54% | 97.79% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.52% | 96.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.59% | 97.21% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.56% | 91.19% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.75% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.98% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.42% | 91.11% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.65% | 93.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.31% | 94.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.29% | 96.77% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.74% | 95.89% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.96% | 96.90% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.94% | 91.07% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.50% | 99.17% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.40% | 97.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.20% | 95.56% |
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 |
Taxus wallichiana |
PubChem | 85298321 |
LOTUS | LTS0122081 |
wikiData | Q105266354 |