3-O-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate
Internal ID | 11ce6ef3-6f8a-4428-83b7-f699519fde16 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
IUPAC Name | 3-O-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate |
SMILES (Canonical) | CC1=CC(=O)CC2C1(CCCC2(C)CCC(=CCOC(=O)CC(=O)OC)C)C |
SMILES (Isomeric) | CC1=CC(=O)CC2C1(CCCC2(C)CCC(=CCOC(=O)CC(=O)OC)C)C |
InChI | InChI=1S/C23H34O5/c1-16(8-12-28-21(26)15-20(25)27-5)7-11-22(3)9-6-10-23(4)17(2)13-18(24)14-19(22)23/h8,13,19H,6-7,9-12,14-15H2,1-5H3 |
InChI Key | WIVVKYOJHXCGPE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H34O5 |
Molecular Weight | 390.50 g/mol |
Exact Mass | 390.24062418 g/mol |
Topological Polar Surface Area (TPSA) | 69.70 Ų |
XlogP | 4.90 |
There are no found synonyms. |
![2D Structure of 3-O-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate 2D Structure of 3-O-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/24e05a70-8592-11ee-94f7-4fc300659989.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.60% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.57% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.88% | 98.95% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.72% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.61% | 86.33% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.66% | 91.19% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.46% | 94.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.77% | 85.30% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.63% | 96.90% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.29% | 90.17% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.25% | 91.07% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.57% | 94.75% |
CHEMBL5028 | O14672 | ADAM10 | 80.05% | 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.
Parentucellia latifolia |
PubChem | 163050962 |
LOTUS | LTS0173898 |
wikiData | Q105306554 |