10-hydroxy-4a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
| Internal ID | 9b6fbb3a-c642-4646-8358-83f0c8ac96c2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 10-hydroxy-4a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)COC6=CC=C(C=C6)O |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)COC6=CC=C(C=C6)O |
| InChI | InChI=1S/C36H52O5/c1-22-13-18-35(21-41-25-9-7-24(37)8-10-25)19-20-36(31(39)40)26(30(35)23(22)2)11-12-28-33(5)16-15-29(38)32(3,4)27(33)14-17-34(28,36)6/h7-11,22-23,27-30,37-38H,12-21H2,1-6H3,(H,39,40) |
| InChI Key | OOYJVIFWMOTZBG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H52O5 |
| Molecular Weight | 564.80 g/mol |
| Exact Mass | 564.38147475 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 10-hydroxy-4a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/247e9420-85ff-11ee-9406-ed5d41077fb2.jpg "2D Structure of 10-hydroxy-4a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-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 | 97.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.96% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.17% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.83% | 90.17% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 90.31% | 94.97% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.16% | 97.53% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.46% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.62% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.03% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.73% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.59% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.58% | 92.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.19% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.98% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.24% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.16% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.75% | 94.00% |
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.
| Plumeria obtusa |
| PubChem | 163034362 |
| LOTUS | LTS0027483 |
| wikiData | Q105195806 |