7,10-Dihydroxydeacetyldihydrobotrydial-1(10)-ene

Details

• Internal ID: 53d03631-ae44-4c20-aba3-c870f2eab0f4
• Taxonomy: Organoheterocyclic compounds > Pyrans
• IUPAC Name: (1R,3R,4S,7S,9R,11S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-3,11-diol
• InChI: InChI=1S/C16H26O4/c1-8-6-9(17)11-12-10(8)13(19-5)20-7-16(12,4)14(18)15(11,2)3/h8-9,11,13-14,17-18H,6-7H2,1-5H3/t8-,9+,11-,13+,14-,16-/m1/s1
• InChI Key: SSZUWKMAQVAFIM-MCTCSXRWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₄
• Molecular Weight: 282.37 g/mol
• Exact Mass: 282.18310931 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 0.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.63%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.70%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.79%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.74%	94.45%
CHEMBL226	P30542	Adenosine A1 receptor	87.98%	95.93%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.74%	92.94%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.67%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.52%	97.25%
CHEMBL3922	P50579	Methionine aminopeptidase 2	82.72%	97.28%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.60%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.44%	97.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139588490
• LOTUS: LTS0124392
• wikiData: Q105260050