5-(5,5-dimethoxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Internal ID | f0b5ede6-6387-4e6e-b266-659f3e603e63 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 5-(5,5-dimethoxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
SMILES (Canonical) | CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)CC(OC)OC |
SMILES (Isomeric) | CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)CC(OC)OC |
InChI | InChI=1S/C22H38O4/c1-15(14-19(25-5)26-6)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(23)24/h15,17-19H,2,7-14H2,1,3-6H3,(H,23,24) |
InChI Key | ZLHIOIIUQWUZEK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H38O4 |
Molecular Weight | 366.50 g/mol |
Exact Mass | 366.27700969 g/mol |
Topological Polar Surface Area (TPSA) | 55.80 Ų |
XlogP | 5.40 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.60% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.58% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.68% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 89.98% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.72% | 96.09% |
CHEMBL233 | P35372 | Mu opioid receptor | 85.92% | 97.93% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.83% | 96.47% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.76% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.45% | 91.19% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.69% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.11% | 90.71% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.89% | 90.17% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.07% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.63% | 97.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.32% | 96.38% |
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.
Cryptomeria japonica |
PubChem | 162859502 |
LOTUS | LTS0183807 |
wikiData | Q105378891 |