[17-(1-Acetyloxyethyl)-12-benzoyloxy-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate
| Internal ID | 3b43691f-2e7b-4136-8123-aee14af287f6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | [17-(1-acetyloxyethyl)-12-benzoyloxy-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(C)OC(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1O)C)C)C)O)OC)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(C)OC(=O)C)O)C)OC(=O)C9=CC=CC=C9)COC(=O)C1=CC=CC=C1O)C)C)C)O)OC)O |
| InChI | InChI=1S/C65H92O24/c1-33-52(68)57(78-11)53(69)60(83-33)89-56-36(4)82-51(30-46(56)77-10)88-55-35(3)81-50(29-45(55)76-9)87-54-34(2)80-49(28-44(54)75-8)85-41-22-23-62(32-79-59(71)42-19-15-16-20-43(42)67)40(27-41)21-24-64(73)47(62)31-48(86-58(70)39-17-13-12-14-18-39)61(7)63(72,25-26-65(61,64)74)37(5)84-38(6)66/h12-21,33-37,41,44-57,60,67-69,72-74H,22-32H2,1-11H3 |
| InChI Key | OKHYEAPBUJHBEZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C65H92O24 |
| Molecular Weight | 1257.40 g/mol |
| Exact Mass | 1256.59785380 g/mol |
| Topological Polar Surface Area (TPSA) | 311.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [17-(1-Acetyloxyethyl)-12-benzoyloxy-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/86c45df0-8657-11ee-9213-bb2dbc648773.jpg "2D Structure of [17-(1-Acetyloxyethyl)-12-benzoyloxy-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-13-methyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-10-yl]methyl 2-hydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.54% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.80% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.79% | 95.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.14% | 97.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.08% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.50% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.20% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.92% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.62% | 95.89% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.27% | 83.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.25% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 89.82% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.79% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.98% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.56% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.18% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.54% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.73% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.63% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.59% | 92.62% |
| CHEMBL204 | P00734 | Thrombin | 85.56% | 96.01% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.72% | 94.08% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.46% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.93% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.29% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.48% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.74% | 85.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.46% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.19% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.26% | 93.56% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.16% | 91.43% |
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.
| Araujia sericifera |
| PubChem | 85360896 |
| LOTUS | LTS0116118 |
| wikiData | Q105193556 |