Cyclamiretin A
Internal ID | ecf69e0a-6195-4140-ad79-c5c6767014cd |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | (1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde |
SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CCC45C3(CC(C6(C4CC(CC6)(C)C=O)CO5)O)C)C)C |
SMILES (Isomeric) | C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O)C)C=O |
InChI | InChI=1S/C30H48O4/c1-24(2)19-7-11-27(5)20(26(19,4)10-9-22(24)32)8-12-30-21-15-25(3,17-31)13-14-29(21,18-34-30)23(33)16-28(27,30)6/h17,19-23,32-33H,7-16,18H2,1-6H3/t19-,20+,21+,22-,23+,25-,26-,27+,28-,29+,30-/m0/s1 |
InChI Key | UBWMMEPLQFWYCH-GFRLSDCRSA-N |
Popularity | 5 references in papers |
Molecular Formula | C30H48O4 |
Molecular Weight | 472.70 g/mol |
Exact Mass | 472.35526001 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 5.20 |
5172-34-9 |
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde |
SCHEMBL1049154 |
Oleanan-29-al, 13,28-epoxy-3,16-dihydroxy-, (3beta,16alpha,20beta)- |
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 | 92.54% | 96.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.27% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.42% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.16% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.41% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.64% | 97.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.50% | 96.38% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.25% | 95.89% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.20% | 95.50% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.13% | 100.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.44% | 91.03% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.11% | 95.56% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.80% | 96.61% |
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.
Androsace umbellata |
Cyclamen hederifolium |
Cyclamen persicum |
PubChem | 12305336 |
LOTUS | LTS0128319 |
wikiData | Q105269699 |