6-[2-Hydroxy-1-[4-(hydroxymethyl)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]propan-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
Internal ID | 1da662a1-bb14-48cb-bf55-3393f3002b6b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | 6-[2-hydroxy-1-[4-(hydroxymethyl)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]propan-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
SMILES (Canonical) | CC1CC2C(C1CO)C(C(=O)O2)CC(C)(C3=NC4CC5(C6CC3C4CO6)C7=CC=CC=C7N(C5=O)OC)O |
SMILES (Isomeric) | CC1CC2C(C1CO)C(C(=O)O2)CC(C)(C3=NC4CC5(C6CC3C4CO6)C7=CC=CC=C7N(C5=O)OC)O |
InChI | InChI=1S/C29H36N2O7/c1-14-8-22-24(17(14)12-32)16(26(33)38-22)10-28(2,35)25-15-9-23-29(11-20(30-25)18(15)13-37-23)19-6-4-5-7-21(19)31(36-3)27(29)34/h4-7,14-18,20,22-24,32,35H,8-13H2,1-3H3 |
InChI Key | JKNZWTBHBQUFIY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H36N2O7 |
Molecular Weight | 524.60 g/mol |
Exact Mass | 524.25225149 g/mol |
Topological Polar Surface Area (TPSA) | 118.00 Ų |
XlogP | 1.20 |
There are no found synonyms. |
![2D Structure of 6-[2-Hydroxy-1-[4-(hydroxymethyl)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]propan-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one 2D Structure of 6-[2-Hydroxy-1-[4-(hydroxymethyl)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]propan-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/65a2f0f0-8410-11ee-8722-35ed16888458.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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.06% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.06% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.92% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.39% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.82% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.77% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.40% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.91% | 95.56% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.52% | 100.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.26% | 93.40% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.60% | 97.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.56% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.89% | 94.00% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.01% | 97.33% |
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.
Gelsemium elegans |
PubChem | 85192331 |
LOTUS | LTS0273636 |
wikiData | Q105130376 |