Methyl abieta-8,11,13-trien-18-oate
Internal ID | 9fb3bc47-85d4-472e-8267-d4372eeaf24a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C |
SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C |
InChI | InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3 |
InChI Key | PGZCJOPTDHWYES-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H30O2 |
Molecular Weight | 314.50 g/mol |
Exact Mass | 314.224580195 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 5.90 |
METHYL DEHYDROABIETATE |
7151-00-0 |
Dehydroabietic acid methyl ester |
Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, methyl ester |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]- |
NSC 81596 |
NSC 146198 |
Methyl 8,11,13-abietatrien-18-oate |
NCIOpen2_008041 |
SCHEMBL2603428 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.96% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.30% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.18% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.21% | 83.82% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.97% | 95.89% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.04% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.61% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.24% | 91.19% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.58% | 90.71% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.50% | 92.62% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.15% | 91.07% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.42% | 91.03% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 83.91% | 98.75% |
CHEMBL205 | P00918 | Carbonic anhydrase II | 83.25% | 98.44% |
CHEMBL268 | P43235 | Cathepsin K | 82.53% | 96.85% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.82% | 82.69% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.75% | 93.56% |
CHEMBL5028 | O14672 | ADAM10 | 80.16% | 97.50% |
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.
Calocedrus decurrens |
Cleonia lusitanica |
Juniperus phoenicea |
Pinus brutia var. pityusa |
Pinus densiflora |
Pinus luchuensis |
Pinus sylvestris var. hamata |
Torreya nucifera |
PubChem | 247581 |
LOTUS | LTS0153910 |
wikiData | Q82027027 |