11-KETO-beta-BOSWELLIC ACID
| Internal ID | 5577354e-d109-4f55-90ed-d2b28a4d489f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C |
| InChI | InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1 |
| InChI Key | YIMHGPSYDOGBPI-YZCVQEKWSA-N |
| Popularity | 64 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.20 |
| 17019-92-0 |
| Keto-b-boswellic acid |
| 11-keto-beta-boswellicacid |
| UNII-0S3BIF6H0Q |
| 0S3BIF6H0Q |
| 11-Oxo-beta-boswellic acid |
| 11-?Keto-?beta-?boswellic acid |
| 11-Keto Boswellic Acid |
| CHEMBL437964 |
| 3alpha-Hydroxy-11-oxours-12-en-24-oic acid |
| 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 |
|---|---|---|---|---|---|
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
3000 nM |
IC50 |
PMID: 10978197
|
| CHEMBL3202 | P48147 | Prolyl endopeptidase |
36320 nM |
IC50 |
PMID: 15730241
|
| CHEMBL5658 | O14684 | Prostaglandin E synthase |
3000 nM |
IC50 |
PMID: 24844534
|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
8040 nM 8040 nM 8040 nM |
IC50 IC50 IC50 |
DOI: 10.1007/s00044-010-9529-5
DOI: 10.1007/s00044-010-9529-5 PMID: 18707891 |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase |
9450 nM |
IC50 |
PMID: 18707891
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.33% | 90.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 96.15% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.47% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.87% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.81% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.43% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.15% | 93.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.55% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.97% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.27% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.50% | 90.71% |
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.
| Boswellia papyrifera |
| Boswellia sacra |
| Boswellia serrata |
| PubChem | 9847548 |
| NPASS | NPC148523 |
| ChEMBL | CHEMBL437964 |
| LOTUS | LTS0168962 |
| wikiData | Q27237166 |