(5,6-dihydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) 4-(2-methylbut-2-enoyloxy)hex-2-enoate
Internal ID | e857bce4-a6b6-4880-86c6-196633a298d5 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | (5,6-dihydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) 4-(2-methylbut-2-enoyloxy)hex-2-enoate |
SMILES (Canonical) | CCC(C=CC(=O)OC1CCC2C(C(C(CC2(C1C)C)C(=C)C)O)O)OC(=O)C(=CC)C |
SMILES (Isomeric) | CCC(C=CC(=O)OC1CCC2C(C(C(CC2(C1C)C)C(=C)C)O)O)OC(=O)C(=CC)C |
InChI | InChI=1S/C26H40O6/c1-8-16(5)25(30)31-18(9-2)10-13-22(27)32-21-12-11-20-24(29)23(28)19(15(3)4)14-26(20,7)17(21)6/h8,10,13,17-21,23-24,28-29H,3,9,11-12,14H2,1-2,4-7H3 |
InChI Key | RBNZUDGNUIATAX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H40O6 |
Molecular Weight | 448.60 g/mol |
Exact Mass | 448.28248899 g/mol |
Topological Polar Surface Area (TPSA) | 93.10 Ų |
XlogP | 5.10 |
There are no found synonyms. |
![2D Structure of (5,6-dihydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) 4-(2-methylbut-2-enoyloxy)hex-2-enoate 2D Structure of (5,6-dihydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) 4-(2-methylbut-2-enoyloxy)hex-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/426098f0-864d-11ee-b029-29489c19d047.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.91% | 90.17% |
CHEMBL204 | P00734 | Thrombin | 95.88% | 96.01% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.55% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.62% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.42% | 95.93% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.49% | 91.19% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.91% | 96.77% |
CHEMBL2581 | P07339 | Cathepsin D | 89.57% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.70% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.04% | 99.17% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.29% | 96.38% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.00% | 91.24% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.04% | 89.34% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.76% | 97.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.50% | 91.07% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.68% | 94.33% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.54% | 80.00% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.39% | 97.47% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.75% | 95.89% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.10% | 98.75% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.02% | 100.00% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.96% | 83.82% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.89% | 96.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.72% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.36% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.98% | 89.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.91% | 96.47% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.44% | 93.00% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.00% | 89.05% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.00% | 95.71% |
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.
Senecio erubescens |
PubChem | 163078786 |
LOTUS | LTS0269183 |
wikiData | Q105233211 |