13-(2-Hydroxy-6-methylhept-5-en-2-yl)-1,5,16-trimethyl-4-prop-1-en-2-yl-9-oxatetracyclo[8.6.1.05,17.012,16]heptadecan-8-one
Internal ID | f5395754-030b-43d6-b5a0-77d29443162c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
IUPAC Name | 13-(2-hydroxy-6-methylhept-5-en-2-yl)-1,5,16-trimethyl-4-prop-1-en-2-yl-9-oxatetracyclo[8.6.1.05,17.012,16]heptadecan-8-one |
SMILES (Canonical) | CC(=CCCC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CCC(=O)O3)C)C(=C)C)C)C)O)C |
SMILES (Isomeric) | CC(=CCCC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CCC(=O)O3)C)C(=C)C)C)C)O)C |
InChI | InChI=1S/C30H48O3/c1-19(2)10-9-14-30(8,32)22-12-16-28(6)23(22)18-24-26-27(5,15-13-25(31)33-24)21(20(3)4)11-17-29(26,28)7/h10,21-24,26,32H,3,9,11-18H2,1-2,4-8H3 |
InChI Key | UJKRXDRUBVRCPX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H48O3 |
Molecular Weight | 456.70 g/mol |
Exact Mass | 456.36034539 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 8.00 |
There are no found synonyms. |
![2D Structure of 13-(2-Hydroxy-6-methylhept-5-en-2-yl)-1,5,16-trimethyl-4-prop-1-en-2-yl-9-oxatetracyclo[8.6.1.05,17.012,16]heptadecan-8-one 2D Structure of 13-(2-Hydroxy-6-methylhept-5-en-2-yl)-1,5,16-trimethyl-4-prop-1-en-2-yl-9-oxatetracyclo[8.6.1.05,17.012,16]heptadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/3932e190-85d8-11ee-8a9b-db00c9359518.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 | 99.45% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.36% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.28% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.33% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.92% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.40% | 95.89% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.20% | 89.34% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.80% | 86.33% |
CHEMBL1977 | P11473 | Vitamin D receptor | 84.95% | 99.43% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.02% | 92.94% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.01% | 97.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.80% | 96.09% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.41% | 96.43% |
CHEMBL5028 | O14672 | ADAM10 | 81.60% | 97.50% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.09% | 97.05% |
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.
Betula fruticosa |
PubChem | 85243908 |
LOTUS | LTS0082566 |
wikiData | Q105274010 |