(+)-(2R,4R,5R,8S)-4-deacetyl-5-hydroxy-botryenalol

Details

• Internal ID: 1a4a3ef0-3453-4be7-93ec-86c302081441
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (3S,5R,7R,7aR)-7,7a-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,5,6,7-tetrahydroindene-4-carbaldehyde
• InChI: InChI=1S/C15H24O4/c1-9-5-11(18)15(19)12(10(9)6-16)14(4,8-17)7-13(15,2)3/h6,9,11,17-19H,5,7-8H2,1-4H3/t9-,11-,14-,15+/m1/s1
• InChI Key: JKGZOQASNFGTHB-VGKMCQHDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₄
• Molecular Weight: 268.35 g/mol
• Exact Mass: 268.16745924 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 0.10

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	95.16%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.12%	95.56%
CHEMBL226	P30542	Adenosine A1 receptor	90.45%	95.93%
CHEMBL4040	P28482	MAP kinase ERK2	85.98%	83.82%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.92%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.75%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.04%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.64%	89.34%
CHEMBL2581	P07339	Cathepsin D	81.43%	98.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.08%	90.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146684672
• LOTUS: LTS0233144
• wikiData: Q105130203