(3S)-5-[[(1R,3aS,4S,5Z,9E,12aS)-4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
| Internal ID | 709254f6-7975-4dd0-958f-ab4f4cf5cdd9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | (3S)-5-[[(1R,3aS,4S,5Z,9E,12aS)-4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H42O7/c1-17-7-6-8-18(16-33-23(30)15-25(4,32)14-22(28)29)13-21(27)26(5)12-11-19(24(2,3)31)20(26)10-9-17/h7,13,19-21,27,31-32H,6,8-12,14-16H2,1-5H3,(H,28,29)/b17-7+,18-13-/t19-,20+,21+,25+,26+/m1/s1 |
| InChI Key | UQWDHHVADPTEQB-FULNAWQDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O7 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (3S)-5-[[(1R,3aS,4S,5Z,9E,12aS)-4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/44fca3c0-8560-11ee-ad86-7566385623cf.jpg "2D Structure of (3S)-5-[[(1R,3aS,4S,5Z,9E,12aS)-4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.21% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 86.10% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.45% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.41% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.37% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.88% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.22% | 90.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.91% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.51% | 100.00% |
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.
| Chrozophora plicata |
| PubChem | 162902296 |
| LOTUS | LTS0220482 |
| wikiData | Q105277549 |