methyl 5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Internal ID | aca44e18-1569-4054-bcf0-0ce4255fda12 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | methyl 5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
SMILES (Canonical) | CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C |
SMILES (Isomeric) | CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C |
InChI | InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h11,17-18,22H,2,6-10,12-14H2,1,3-5H3 |
InChI Key | LPLVHEIZIMARCP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H34O3 |
Molecular Weight | 334.50 g/mol |
Exact Mass | 334.25079494 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 4.90 |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.76% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.21% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.17% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.79% | 96.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.08% | 95.50% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.95% | 91.07% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.29% | 91.19% |
CHEMBL233 | P35372 | Mu opioid receptor | 86.60% | 97.93% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.14% | 91.24% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.46% | 82.69% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.24% | 94.33% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.51% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.24% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.77% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 82.29% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.03% | 100.00% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.45% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.38% | 95.89% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.53% | 100.00% |
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.
Calocedrus decurrens |
Cryptomeria japonica |
Juniperus communis |
Juniperus thurifera |
Pinus ponderosa |
Pinus sibirica |
PubChem | 85146322 |
LOTUS | LTS0175791 |
wikiData | Q105155230 |