Phomalairdenol B

Details

• Internal ID: 72e95522-a639-4230-9ec0-fdad01d51615
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes
• IUPAC Name: (1R,4S,5S,7S,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
• InChI: InChI=1S/C15H24O2/c1-10-4-5-11-13(2,9-16)8-14(3)12(17)6-7-15(10,11)14/h6-7,10-12,16-17H,4-5,8-9H2,1-3H3/t10-,11+,12+,13-,14-,15+/m1/s1
• InChI Key: ABIJNHHCJOSVIF-FSKVPOERSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.70

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	95.86%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.12%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.41%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	87.88%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.08%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.47%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.60%	91.11%
CHEMBL4072	P07858	Cathepsin B	82.13%	93.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139588022
• LOTUS: LTS0053907
• wikiData: Q104908626