ent-Isozedoaronediol
Internal ID | 608b4655-852d-4578-a17c-c5e94834881f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
IUPAC Name | (3R,3aR,8S,8aS)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one |
SMILES (Canonical) | CC(=C1CC2C(CCC2(C)O)C(CC1=O)(C)O)C |
SMILES (Isomeric) | CC(=C1C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@](CC1=O)(C)O)C |
InChI | InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14+,15-/m0/s1 |
InChI Key | TXIKNNOOLCGADE-MXYBEHONSA-N |
Popularity | 5 references in papers |
Molecular Formula | C15H24O3 |
Molecular Weight | 252.35 g/mol |
Exact Mass | 252.17254462 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 1.60 |
ent-Isozedoaronediol |
98644-24-7 |
E87113 |
(3R,3aR,8S,8aS)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one |
![2D Structure of ent-Isozedoaronediol 2D Structure of ent-Isozedoaronediol](https://plantaedb.com/storage/docs/compounds/2023/11/ent-isozedoaronediol.jpg)
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 | 96.50% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.96% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.92% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 91.68% | 98.95% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.24% | 93.04% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.61% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.84% | 91.11% |
CHEMBL299 | P17252 | Protein kinase C alpha | 88.27% | 98.03% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.38% | 85.30% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.07% | 93.03% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.33% | 94.75% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.69% | 97.79% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.23% | 97.05% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.52% | 91.19% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.28% | 96.77% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.07% | 97.09% |
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.
Curcuma aeruginosa |
Curcuma aromatica |
Curcuma longa |
Curcuma zedoaria |
PubChem | 25754115 |
LOTUS | LTS0188409 |
wikiData | Q105266764 |