1,7,12,14-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,12alpha,14R)
Internal ID | 59283fae-c13e-47ec-ac2e-8305130b13f9 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (2R,4R,8S,9R,10S,12S,16S)-2,8,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
SMILES (Canonical) | CC1(CCC(C2(C1CC(C34C2CC(C(C3O)C(=C)C4=O)O)O)C)O)C |
SMILES (Isomeric) | C[C@@]12[C@H](CCC([C@H]1C[C@H](C34[C@H]2C[C@@H](C([C@@H]3O)C(=C)C4=O)O)O)(C)C)O |
InChI | InChI=1S/C20H30O5/c1-9-15-10(21)7-12-19(4)11(18(2,3)6-5-13(19)22)8-14(23)20(12,16(9)24)17(15)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14+,15?,17-,19+,20?/m0/s1 |
InChI Key | NFENNPKUXFGPST-VBSVUCAUSA-N |
Popularity | 5 references in papers |
Molecular Formula | C20H30O5 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 0.90 |
DTXSID10999830 |
1,7,12,14-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,12alpha,14R) |
AKOS032949118 |
1,7,12,14-Tetrahydroxykaur-16-en-15-one |
Kaur-16-en-15-one, 1,7,12,14-tetrahydroxy-, (1alpha,7alpha,12alpha,14R)- |
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 | 91.53% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.99% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.89% | 85.14% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.87% | 96.38% |
CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.57% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.10% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.29% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.43% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.50% | 94.45% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.19% | 96.43% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.69% | 92.94% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.61% | 93.04% |
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.
Isodon excisus |
Isodon inflexus |
Isodon japonicus |
Isodon scoparius |
PubChem | 174150 |
LOTUS | LTS0153325 |
wikiData | Q82993126 |