[(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] (2E,4E,6E)-deca-2,4,6-trienoate
| Internal ID | bff95989-986e-4bca-a610-f210735c1fe2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] (2E,4E,6E)-deca-2,4,6-trienoate |
| SMILES (Canonical) | CCCC=CC=CC=CC(=O)OC1C(CC2C1(C(C(C(C3C24C(CC5(C3OC(O5)(O4)C6=CC=CC=C6)C(=C)C)C)O)(CO)O)O)O)C |
| SMILES (Isomeric) | CCC/C=C/C=C/C=C/C(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1([C@@H]([C@]([C@H]([C@@H]3[C@]24[C@@H](C[C@]5([C@@H]3O[C@](O5)(O4)C6=CC=CC=C6)C(=C)C)C)O)(CO)O)O)O)C |
| InChI | InChI=1S/C37H48O10/c1-6-7-8-9-10-11-15-18-27(39)44-30-23(4)19-26-35(30,43)32(41)33(42,21-38)29(40)28-31-34(22(2)3)20-24(5)36(26,28)47-37(45-31,46-34)25-16-13-12-14-17-25/h8-18,23-24,26,28-32,38,40-43H,2,6-7,19-21H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,24+,26+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+/m0/s1 |
| InChI Key | DVGAOXCLZBOESM-CWWWEMRHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H48O10 |
| Molecular Weight | 652.80 g/mol |
| Exact Mass | 652.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] (2E,4E,6E)-deca-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/57662310-85d1-11ee-bdd0-f564cdd05eae.jpg "2D Structure of [(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] (2E,4E,6E)-deca-2,4,6-trienoate")
| 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 | 97.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 96.79% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.50% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.12% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.05% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.80% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.28% | 97.79% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.86% | 94.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.18% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.97% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.81% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.55% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.13% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.93% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.31% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.26% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.87% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.69% | 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.
| Daphne genkwa |
| PubChem | 162946350 |
| LOTUS | LTS0179116 |
| wikiData | Q104989994 |