(1S,2S,3R,5R,6S,7R,14R,15S,18S,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Internal ID | 2f4eb05d-ba40-476e-aec1-0dba597e02dc |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
IUPAC Name | (1S,2S,3R,5R,6S,7R,14R,15S,18S,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone |
SMILES (Canonical) | CC1C(=O)OC2CC1(C3C(=O)C4(C5C(CCC6(C3(C2(OC6=O)C)O4)O)C7(C(=CC5O)CC=CC7=O)C)O)C |
SMILES (Isomeric) | C[C@@H]1C(=O)O[C@@H]2C[C@]1([C@@H]3C(=O)[C@]4([C@H]5[C@H](CC[C@@]6([C@]3([C@]2(OC6=O)C)O4)O)[C@@]7(C(=C[C@H]5O)CC=CC7=O)C)O)C |
InChI | InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3/t12-,14+,15-,17-,18+,19+,23-,24+,25+,26-,27-,28+/m1/s1 |
InChI Key | QFAOFAWTSOFSQA-PGNTUMIFSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C28H32O10 |
Molecular Weight | 528.50 g/mol |
Exact Mass | 528.19954721 g/mol |
Topological Polar Surface Area (TPSA) | 157.00 Ų |
XlogP | -0.10 |
120849-18-5 |
FS-8216 |
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 | 95.11% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.67% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.47% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.74% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.69% | 91.11% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.65% | 86.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.15% | 96.61% |
CHEMBL1871 | P10275 | Androgen Receptor | 88.79% | 96.43% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.78% | 94.80% |
CHEMBL220 | P22303 | Acetylcholinesterase | 88.34% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.01% | 89.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.23% | 97.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.29% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 82.72% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.15% | 96.77% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.42% | 95.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.06% | 86.33% |
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.
Physalis minima |
PubChem | 145874172 |
LOTUS | LTS0077040 |
wikiData | Q105219462 |