Sucutinirane F

Details

Top
Internal ID b7be8b91-e6aa-47b0-982f-d32e3713a0cd
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name [(4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-6-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H32O4/c1-12-14-7-10-25-16(14)11-15-17(12)19(26-13(2)23)18(24)20-21(3,4)8-6-9-22(15,20)5/h7,10,12,15,17-20,24H,6,8-9,11H2,1-5H3/t12-,15-,17-,18-,19+,20-,22+/m0/s1
InChI Key UZCILNJWHPOAGV-AUULDNBDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C22H32O4
Molecular Weight 360.50 g/mol
Exact Mass 360.23005950 g/mol
Topological Polar Surface Area (TPSA) 59.70 Ų
XlogP 4.80

Synonyms

Top
((4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho(2,1-f)(1)benzofuran-6-yl) acetate
[(4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-6-yl] acetate
RefChem:186436
40776-54-3
CHEMBL562243

2D Structure

Top
2D Structure of Sucutinirane F

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.86% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.20% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.65% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.12% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.10% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.87% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.97% 86.33%
CHEMBL2581 P07339 Cathepsin D 85.63% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.61% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.38% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.74% 97.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.38% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 80.15% 91.19%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 80.07% 95.71%

Plants that contains it

Top
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.
Bowdichia nitida

Cross-Links

Top
PubChem 44139375
NPASS NPC121615
ChEMBL CHEMBL562243
LOTUS LTS0223901
wikiData Q105282106