17-(4-hydroxy-5,5-dimethylcyclohexen-1-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 3655e9d1-641a-4dee-ab4c-3042da032264 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(4-hydroxy-5,5-dimethylcyclohexen-1-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1(CC(=CCC1O)C2CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C |
| SMILES (Isomeric) | CC1(CC(=CCC1O)C2CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C |
| InChI | InChI=1S/C30H50O2/c1-26(2)18-19(8-11-24(26)31)20-12-16-29(6)21(20)9-10-23-28(5)15-14-25(32)27(3,4)22(28)13-17-30(23,29)7/h8,20-25,31-32H,9-18H2,1-7H3 |
| InChI Key | RQEZDUKGGUJGFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 17-(4-hydroxy-5,5-dimethylcyclohexen-1-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2a6e9020-8603-11ee-a487-1979b6cb6597.jpg "2D Structure of 17-(4-hydroxy-5,5-dimethylcyclohexen-1-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.56% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.02% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.13% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.22% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.57% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.81% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.39% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.16% | 100.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.29% | 94.01% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.08% | 96.43% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.03% | 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.
| Aglaia odorata |
| PubChem | 162908027 |
| LOTUS | LTS0118009 |
| wikiData | Q105243292 |