Levopimaric acid transannular peroxide
| Internal ID | db632dea-a599-48c8-9721-baa67c36d490 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4R,5R,9S,10R,12S)-5,9-dimethyl-16-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid |
| SMILES (Canonical) | CC(C)C1=CC23CCC4C(C2CC1OO3)(CCCC4(C)C(=O)O)C |
| SMILES (Isomeric) | CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1OO3)(CCC[C@@]4(C)C(=O)O)C |
| InChI | InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1 |
| InChI Key | IQKPNFFLSFPURG-ANOHPKFUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.80 |
| 13,14-Epoxyabietic acid |
| 13,14-Epoxy-abietic acid |
| Levopimaric acid transannular peroxide |
| NSC-152563 |
| (1S,4R,5R,9S,10R,12S)-5,9-Dimethyl-16-(propan-2-yl)-13,14-dioxatetracyclo(10.2.2.0(1,10).0(4,9))hexadec-15-ene-5-carboxylic acid |
| (2S,4aS,6aR,7R,10aS,10bR)-1,5,6,6a,7,8,9,10,10a,10b-Decahydro-7,10a-dimethyl-12-(1-methylethyl)-2H-2,4a-ethenonaphtho(2,1-C)(1,2)dioxin-7-carboxylic acid |
| 2H-2,4a-Ethenonaphtho(2,1-C)(1,2)dioxin-7-carboxylic acid, 1,5,6,6a,7,8,9,10,10a,10b-decahydro-7,10a-dimethyl-12-(1-methylethyl)-, (2S,4aS,6aR,7R,10aS,10bR)- |
| 15620-98-1 |
| UNII-BVT9SM64KG |
| CHEMBL3798640 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.42% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.53% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.10% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.25% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.87% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.24% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.15% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.04% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.76% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.46% | 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.
| Larix kaempferi |
| PubChem | 15929993 |
| LOTUS | LTS0070121 |
| wikiData | Q105117923 |