9-Hydroxysemperoside aglucone
Internal ID | 5619f989-ebed-4cd1-8513-ba50b771a792 |
Taxonomy | Organoheterocyclic compounds > Furopyrans |
IUPAC Name | (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one |
SMILES (Canonical) | CC1CC2C3C1(COC(C3C(=O)O2)O)O |
SMILES (Isomeric) | C[C@H]1C[C@H]2[C@H]3[C@@]1(CO[C@@H]([C@H]3C(=O)O2)O)O |
InChI | InChI=1S/C10H14O5/c1-4-2-5-7-6(9(12)15-5)8(11)14-3-10(4,7)13/h4-8,11,13H,2-3H2,1H3/t4-,5-,6-,7+,8-,10-/m0/s1 |
InChI Key | SNNJSMNZDVHVIU-QEPMPPCBSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C10H14O5 |
Molecular Weight | 214.21 g/mol |
Exact Mass | 214.08412354 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | -0.60 |
(1S,4S,6S,7S,10S,11S)-7,10-Dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.29% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.99% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.24% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.11% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.10% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.56% | 92.94% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.15% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.89% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.02% | 94.45% |
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 |
Verbena litoralis |
PubChem | 10398318 |
LOTUS | LTS0190894 |
wikiData | Q105256574 |