Triptohypol B
| Internal ID | 2a89038c-3d7f-4636-808d-a01d3e7cd3c2 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (2R,4aS,6aR,6aS,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22-,26-,27-,28+,29-,30+/m1/s1 |
| InChI Key | KFGGKCFEQGLWFO-NLVUKCNFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H40O5 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.90 |
| 198129-84-9 |
| (-)-Triptohypol B |
| CHEBI:132338 |
| DTXSID901106787 |
| (2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid |
| Q27225541 |
| 24,25,26-Trinoroleana-1,3,5(10),7-tetraen-29-oic acid, 2-hydroxy-3-methoxy-9,13-dimethyl-6-oxo-, (9I(2),13I+/-,14I(2),20I+/-)- |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.91% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.58% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.55% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.02% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.88% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.15% | 94.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.14% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.10% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.64% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.42% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.29% | 91.07% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 87.12% | 95.52% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.80% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.42% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.34% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.70% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.45% | 98.75% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.81% | 94.97% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.71% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.28% | 95.50% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.11% | 91.79% |
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 doianum |
| PubChem | 101936044 |
| LOTUS | LTS0078460 |
| wikiData | Q27225541 |