(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Internal ID | d276f7d8-ef2f-4287-9f8c-3c8ae4b0427f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids |
IUPAC Name | (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid |
SMILES (Canonical) | CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O |
SMILES (Isomeric) | C[C@@]12CC=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O |
InChI | InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1 |
InChI Key | UXLXLQYIDWLPKX-KQBHUUJHSA-N |
Popularity | 4 references in papers |
Molecular Formula | C19H22O5 |
Molecular Weight | 330.40 g/mol |
Exact Mass | 330.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 83.80 Ų |
XlogP | 1.40 |
There are no found synonyms. |
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 | 95.60% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.40% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.17% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.59% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.38% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.77% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.20% | 99.23% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.15% | 96.38% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.20% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.51% | 90.17% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.61% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.03% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.06% | 91.19% |
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.
Prunus cerasus |
PubChem | 101995857 |
LOTUS | LTS0265476 |
wikiData | Q105280890 |