Stereumin F

Details

• Internal ID: 73ef97a4-b87a-41d2-bcd1-fc679e0bd5ca
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (1S,3R,5aR,6S,8S,8aS,8bS)-3,6-dimethyl-2-methylidene-1,5,5a,6,7,8,8a,8b-octahydro-as-indacene-1,3,8-triol
• SMILES (Canonical): CC1CC(C2C1CC=C3C2C(C(=C)C3(C)O)O)O
• SMILES (Isomeric): C[C@H]1C[C@@H]([C@H]2[C@@H]1CC=C3[C@H]2[C@@H](C(=C)[C@]3(C)O)O)O
• InChI: InChI=1S/C15H22O3/c1-7-6-11(16)12-9(7)4-5-10-13(12)14(17)8(2)15(10,3)18/h5,7,9,11-14,16-18H,2,4,6H2,1,3H3/t7-,9+,11-,12+,13+,14+,15-/m0/s1
• InChI Key: PYQVJGJRCRIBAC-SGNKJEPPSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33 g/mol
• Exact Mass: 250.15689456 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 0.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	94.36%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.87%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.07%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.12%	97.09%
CHEMBL221	P23219	Cyclooxygenase-1	86.69%	90.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.65%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.18%	100.00%
CHEMBL4208	P20618	Proteasome component C5	80.34%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.00%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102052502
• LOTUS: LTS0179294
• wikiData: Q75069100