[(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxymethyl formate
Internal ID | 304dc0fe-2699-4722-907d-1e6e20439d3a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | [(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxymethyl formate |
SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)COCOC=O |
SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)COCOC=O |
InChI | InChI=1S/C22H34O3/c1-16-11-22-10-7-18-20(2,13-24-15-25-14-23)8-4-9-21(18,3)19(22)6-5-17(16)12-22/h14,17-19H,1,4-13,15H2,2-3H3/t17-,18-,19+,20+,21-,22-/m1/s1 |
InChI Key | VDGYBUSARYZNLB-KQFPAPQFSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H34O3 |
Molecular Weight | 346.50 g/mol |
Exact Mass | 346.25079494 g/mol |
Topological Polar Surface Area (TPSA) | 35.50 Ų |
XlogP | 6.00 |
There are no found synonyms. |
![2D Structure of [(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxymethyl formate 2D Structure of [(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxymethyl formate](https://plantaedb.com/storage/docs/compounds/2023/11/230671f0-865e-11ee-a480-4b77d8255bef.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.32% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.57% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.94% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.80% | 97.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.64% | 95.50% |
CHEMBL2581 | P07339 | Cathepsin D | 85.93% | 98.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.76% | 94.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.73% | 95.56% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.01% | 82.69% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.89% | 96.77% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.19% | 99.29% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.46% | 97.14% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.45% | 100.00% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.14% | 96.09% |
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.
Baccharis minutiflora |
PubChem | 162967231 |
LOTUS | LTS0075598 |
wikiData | Q105284162 |