Africantriol

Details

• Internal ID: c1779f18-c7e3-4e27-9cd1-41499138d993
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1aS,2R,4aS,5R,6R,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6,7,7a-octahydrocyclopropa[h]azulene-2,4a,6-triol
• InChI: InChI=1S/C15H26O3/c1-8-10(16)5-11-14(4)6-9(14)12(17)13(2,3)7-15(8,11)18/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10-,11+,12-,14-,15-/m1/s1
• InChI Key: IFIHWZZZFAACPJ-FHISBMPRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 1.70

Synonyms

• (1aS,2R,4aS,5R,6R,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6,7,7a-octahydrocyclopropa[h]azulene-2,4a,6-triol
• (1aS,2R,4aS,5R,6R,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6,7,7a-octahydrocyclopropa(h)azulene-2,4a,6-triol
• RefChem:110053
• 677757-00-5
• CHEBI:212224

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.31%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.34%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.80%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.82%	85.14%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.57%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.87%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.30%	100.00%
CHEMBL1951	P21397	Monoamine oxidase A	83.36%	91.49%
CHEMBL221	P23219	Cyclooxygenase-1	83.16%	90.17%
CHEMBL226	P30542	Adenosine A1 receptor	80.78%	95.93%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10944983
• LOTUS: LTS0123553
• wikiData: Q77521908