3-[3-[2-Hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyhept-6-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,5a,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
| Internal ID | f023d26f-e78e-4745-9295-ec281b1addc8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 3-[3-[2-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyhept-6-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,5a,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H56O8/c1-20(2)22-11-17-34(7)27(32(22,5)15-14-28(37)38)10-9-23-24(12-16-33(23,34)6)35(8,41)18-13-26(21(3)4)43-31-30(40)29(39)25(36)19-42-31/h9-10,22-27,29-31,36,39-41H,1,3,11-19H2,2,4-8H3,(H,37,38) |
| InChI Key | GZBFVWFZMJMQQN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H56O8 |
| Molecular Weight | 604.80 g/mol |
| Exact Mass | 604.39751874 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 5.50 |
| 173294-76-3 |
| 3,4-Secodammara-4(28),11,25-trien-3-oic acid, 24-(alpha-L-arabinopyranosyloxy)-20-hydroxy- |
![2D Structure of 3-[3-[2-Hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyhept-6-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,5a,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/34-secodammara-4281125-trien-3-oic-acid-24-alpha-l-arabinopyranosyloxy-20-hydroxy-.jpg "2D Structure of 3-[3-[2-Hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyhept-6-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,5a,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.33% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 91.53% | 92.26% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.24% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.03% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.09% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.31% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.28% | 96.77% |
| CHEMBL5028 | O14672 | ADAM10 | 85.99% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.69% | 91.07% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.31% | 89.05% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 84.80% | 92.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.26% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.87% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.74% | 83.82% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.55% | 92.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.17% | 95.00% |
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.
| Cyclocarya paliurus |
| PubChem | 162960262 |
| LOTUS | LTS0129920 |
| wikiData | Q105024318 |