[6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] butanoate
| Internal ID | f4c62086-1bff-4dfc-9fc0-cb26fc17f39c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] butanoate |
| SMILES (Canonical) | CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)CCC)C)C=C(C6=O)C)O)O)CO |
| SMILES (Isomeric) | CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)CCC)C)C=C(C6=O)C)O)O)CO |
| InChI | InChI=1S/C34H46O10/c1-7-9-10-11-12-13-14-16-31-42-28-24-27-30(18-35,41-27)29(38)32(39)22(17-20(5)25(32)37)34(24,44-31)21(6)26(40-23(36)15-8-2)33(28,43-31)19(3)4/h12-14,16-17,21-22,24,26-29,35,38-39H,3,7-11,15,18H2,1-2,4-6H3 |
| InChI Key | ZDLZTEOSMQFTTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H46O10 |
| Molecular Weight | 614.70 g/mol |
| Exact Mass | 614.30909766 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e0190080-8163-11ee-bb2b-f3d8ed263f39.jpg "2D Structure of [6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] butanoate")
| 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 | 98.63% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.16% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.80% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.60% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.63% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.29% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.88% | 98.03% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 91.56% | 92.32% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.62% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.85% | 90.08% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.77% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.97% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.84% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.93% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.39% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.33% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.99% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.97% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.54% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.45% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.28% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.48% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.28% | 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.
| Daphne genkwa |
| PubChem | 74943470 |
| LOTUS | LTS0226837 |
| wikiData | Q105372393 |