Effusanin E
Internal ID | 6908e339-6d45-48ae-bbbd-8afb7b022a2c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (1S,2S,3R,5S,8S,9S,10S,11R,15S)-3,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
SMILES (Canonical) | CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3)O)O)O)C |
SMILES (Isomeric) | CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2[C@@H](C[C@H](C4)C(=C)C5=O)O)(OC3)O)O)O)C |
InChI | InChI=1S/C20H28O6/c1-9-10-6-11(21)13-18-8-26-20(25,19(13,7-10)15(9)23)16(24)14(18)17(2,3)5-4-12(18)22/h10-14,16,21-22,24-25H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16+,18+,19+,20-/m1/s1 |
InChI Key | HLVWYILWVYNUAJ-LBQBBFOZSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C20H28O6 |
Molecular Weight | 364.40 g/mol |
Exact Mass | 364.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 107.00 Ų |
XlogP | -0.10 |
76470-15-0 |
(1S,2S,3R,5S,8S,9S,10S,11R,15S)-3,9,10,15-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
HY-N9983 |
AKOS040761657 |
CS-0227107 |
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 | 93.64% | 91.11% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.41% | 94.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.76% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.72% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.23% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.02% | 100.00% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.61% | 95.38% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.70% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.76% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 84.79% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.29% | 82.69% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.02% | 97.25% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.07% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.10% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.61% | 95.56% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.05% | 90.08% |
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.
Isodon effusus |
Isodon longitubus |
Isodon nervosus |
Isodon oresbius |
Isodon parvifolius |
Isodon rubescens |
Isodon rugosus |
Isodon wikstroemioides |
PubChem | 24721137 |
LOTUS | LTS0135679 |
wikiData | Q104400498 |