(2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid
| Internal ID | 2397e563-94f2-4dee-89f8-f4ad165d06c9 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid |
| SMILES (Canonical) | CC1=C2CC=C3C4(CCC5(CC(=O)C(CC5C4(CC3(C2=CC(=C1C)O)C)C)(C)C(=O)O)C)C |
| SMILES (Isomeric) | CC1=C2CC=C3[C@@]4(CC[C@@]5(CC(=O)[C@](C[C@@H]5[C@]4(C[C@@]3(C2=CC(=C1C)O)C)C)(C)C(=O)O)C)C |
| InChI | InChI=1S/C29H38O4/c1-16-17(2)20(30)12-19-18(16)8-9-21-27(19,5)15-29(7)22-13-26(4,24(32)33)23(31)14-25(22,3)10-11-28(21,29)6/h9,12,22,30H,8,10-11,13-15H2,1-7H3,(H,32,33)/t22-,25+,26+,27+,28-,29+/m0/s1 |
| InChI Key | DRXRNCTZKZSNHI-INQIZSKWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O4 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0fc66970-8630-11ee-8ea6-adcf516ff522.jpg "2D Structure of (2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid")
| 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 | 98.02% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.81% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.67% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.64% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.20% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.09% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.06% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.63% | 83.57% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.99% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.95% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.68% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.22% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.80% | 90.00% |
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.
| Celastrus hypoleucus |
| PubChem | 163048973 |
| LOTUS | LTS0196038 |
| wikiData | Q104987705 |