Gibberellin A6
Internal ID | 5877631d-7268-4094-80fa-cf1b7671c021 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids |
IUPAC Name | (1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid |
SMILES (Canonical) | CC12C3C(C45CC(=C)C(C4)(CCC5C3(CC6C1O6)OC2=O)O)C(=O)O |
SMILES (Isomeric) | C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@H]6[C@@H]1O6)OC2=O)O)C(=O)O |
InChI | InChI=1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1 |
InChI Key | XNBWKKYPKJHUKD-UQJCXHNCSA-N |
Popularity | 7 references in papers |
Molecular Formula | C19H22O6 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 96.40 Ų |
XlogP | 0.20 |
Gibberellin A6 |
(1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-Hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid |
2beta,3beta-Epoxy-4aalpha,7-dihydroxy-1beta-methyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid 1,4a-lactone |
SCHEMBL22582345 |
CHEBI:29602 |
GA6 |
Q27110170 |
ent-2alpha,3alpha-epoxy-13-hydroxy-20-norgibberell-16-en-19-oic acid 19,10-lactone |
(1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1(5,8).0(1,10).0(2,8).0(12,14)]octadecane-9-carboxylic acid |
2beta,3beta-epoxy-7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.72% | 94.45% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.85% | 96.38% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.55% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.33% | 85.14% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.71% | 93.04% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.82% | 93.03% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.95% | 96.21% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.61% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.76% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.31% | 97.25% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.53% | 99.23% |
CHEMBL2581 | P07339 | Cathepsin D | 83.53% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.85% | 100.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.39% | 95.50% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.65% | 93.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.23% | 90.00% |
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.
Phaseolus coccineus |
Phaseolus vulgaris |
PubChem | 12310161 |
LOTUS | LTS0244919 |
wikiData | Q27110170 |