2,3-Dihydroxypterodontic acid
| Internal ID | da078429-b243-4262-8dd4-417fd2059158 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid |
| SMILES (Canonical) | CC1C(C(CC2(C1=CC(CC2)C(=C)C(=O)O)C)O)O |
| SMILES (Isomeric) | C[C@H]1[C@H]([C@@H](C[C@]2(C1=C[C@@H](CC2)C(=C)C(=O)O)C)O)O |
| InChI | InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-15(3)7-12(16)13(17)9(2)11(15)6-10/h6,9-10,12-13,16-17H,1,4-5,7H2,2-3H3,(H,18,19)/t9-,10-,12-,13-,15+/m1/s1 |
| InChI Key | MNLUMTSGGLOUCH-WHLPLNIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.80 |
| 185821-32-3 |
| 2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid |
| 2-((2R,4AS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)acrylic acid |
| 2alpha,3beta-Dihydroxypterodontic acid |
| MEGxp0_001919 |
| ACon1_001463 |
| 2-Naphthaleneacetic acid, 2,3,4,4a,5,6,7,8-octahydro-6,7-dihydroxy-4a,8-dimethyl-alpha-methylene-,[2R-(2alpha,4aalpha,6beta,7alpha,8alpha)]- |
| AKOS032962144 |
| NCGC00180480-01 |
| FS-10510 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.47% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.24% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.92% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.98% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.09% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.65% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.59% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.39% | 95.89% |
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.
| Laggera crispata |
| PubChem | 23872152 |
| LOTUS | LTS0229282 |
| wikiData | Q105168449 |