Triptolidenol
| Internal ID | bfab68a8-9c08-4706-a93b-b40d8bb46742 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one |
| SMILES (Canonical) | CC12CCC3=C(C1CC4C5(C26C(O6)C7C(C5O)(O7)C(C)(C)O)O4)COC3=O |
| SMILES (Isomeric) | C[C@]12CCC3=C([C@@H]1C[C@H]4[C@@]5([C@@]26[C@@H](O6)[C@H]7[C@@]([C@H]5O)(O7)C(C)(C)O)O4)COC3=O |
| InChI | InChI=1S/C20H24O7/c1-16(2,23)19-12(26-19)13-20(27-13)17(3)5-4-8-9(7-24-14(8)21)10(17)6-11-18(20,25-11)15(19)22/h10-13,15,22-23H,4-7H2,1-3H3/t10-,11-,12-,13-,15-,17-,18+,19-,20+/m0/s1 |
| InChI Key | APBNDXHFQWSYOS-KSYZUNFVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -0.60 |
| 15-Hydroxytriptolide |
| 99694-86-7 |
| 8BBS7D4LA5 |
| UNII-8BBS7D4LA5 |
| Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10,-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-, (3bS-(3balpha,4aalpha,5aR*,6beta,6abeta,7abeta,7balpha,8aR*,8bbeta))- |
| (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one |
| CHEMBL4798681 |
| SCHEMBL19255542 |
| DTXSID60244206 |
| TRIPTOLIDE, 15-HYDROXY- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.65% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.88% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.47% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.31% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.08% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.77% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.72% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.10% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.88% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.69% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.53% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.32% | 97.28% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.12% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.93% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.79% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.47% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.28% | 95.38% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.02% | 97.50% |
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.
| Tripterygium wilfordii |
| PubChem | 3086461 |
| NPASS | NPC118039 |
| LOTUS | LTS0004970 |
| wikiData | Q15634169 |