10-[2-(4-Carboxy-3-methylbuta-1,3-dienyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
| Internal ID | 7e100759-cd05-4d51-9de1-ddebd34e7694 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 10-[2-(4-carboxy-3-methylbuta-1,3-dienyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid |
| SMILES (Canonical) | CC1CCC2(CCC(C(O2)C=CC(=CC(=O)O)C)C)OC1CC=C(C)C=CC(C(C)C=CC(=O)O)O |
| SMILES (Isomeric) | CC1CCC2(CCC(C(O2)C=CC(=CC(=O)O)C)C)OC1CC=C(C)C=CC(C(C)C=CC(=O)O)O |
| InChI | InChI=1S/C29H42O7/c1-19(6-10-24(30)21(3)9-13-27(31)32)7-11-25-22(4)14-16-29(35-25)17-15-23(5)26(36-29)12-8-20(2)18-28(33)34/h6-10,12-13,18,21-26,30H,11,14-17H2,1-5H3,(H,31,32)(H,33,34) |
| InChI Key | ZUPXAYGYALHVSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O7 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 10-[2-(4-Carboxy-3-methylbuta-1,3-dienyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d9d9f380-84e1-11ee-9305-251fd955b267.jpg "2D Structure of 10-[2-(4-Carboxy-3-methylbuta-1,3-dienyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.36% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.46% | 85.14% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 91.86% | 91.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.78% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.19% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.77% | 97.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.59% | 96.47% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 86.06% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.37% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.05% | 98.75% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 82.89% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.42% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.35% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.76% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.32% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.51% | 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.
| There are no matching plants. |
| PubChem | 487675 |
| LOTUS | LTS0134100 |
| wikiData | Q104202805 |