Angustifodilactone B
| Internal ID | 1c6b43ba-4e6f-4515-bfdb-855ef8fd0b75 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3S,9S,10S,12S,13S,16S,17R,18S)-10,18-dihydroxy-16-[(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O7/c1-16-7-8-21(36-24(16)34)28(6,35)18-9-11-26(4)19-13-17(31)23-25(2,3)37-22(33)10-12-29(23)15-30(19,29)14-20(32)27(18,26)5/h7,10,12,17-21,23,31-32,35H,8-9,11,13-15H2,1-6H3/t17-,18-,19-,20-,21+,23-,26-,27-,28+,29+,30-/m0/s1 |
| InChI Key | QCYCYOUXODNCMX-LDUYZNKBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.80 |
| (1R,3S,9S,10S,12S,13S,16S,17R,18S)-10,18-dihydroxy-16-((1R)-1-hydroxy-1-((2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-8,8,13,17-tetramethyl-7-oxapentacyclo(10.7.0.01,3.03,9.013,17)nonadec-4-en-6-one |
| (1R,3S,9S,10S,12S,13S,16S,17R,18S)-10,18-dihydroxy-16-[(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one |
| RefChem:112748 |
| CHEMBL1669431 |
| DTXSID001336050 |
| (1S,3aS,3bS,5S,5aS,10aS,11aR,13S,13aR)-5,13-Dihydroxy-1-{(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-3a,6,6,13a-tetramethyl-1,2,3,3a,3b,4,5,5a,6,12,13,13a-dodecahydro-8H-cyclopenta[5,6]cyclopropa[1,8a]naphtho[2,1-c]oxepin-8-one |
| dihydroxy-[(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-tetramethyl-[?]one |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.46% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.53% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.48% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.38% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.36% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.88% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.91% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.87% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.28% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.63% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.23% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.52% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.43% | 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.
| Kadsura angustifolia |
| PubChem | 51003491 |
| LOTUS | LTS0200763 |
| wikiData | Q105218657 |