Rigidoporone A

Details

• Internal ID: 12910e86-50aa-4724-b973-89f9f64d2d36
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (4aS,5R,8R,8aS)-8-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
• InChI: InChI=1S/C15H22O3/c1-9-6-12-11(10(2)8-16)4-5-15(3,18)13(12)7-14(9)17/h6,11-13,16,18H,2,4-5,7-8H2,1,3H3/t11-,12-,13-,15+/m0/s1
• InChI Key: ORRUPXSXQNQZLJ-PWNZVWSESA-N
• Popularity: 2 references 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): 57.50 Ų
• XlogP: 1.30

Synonyms

• RefChem:179446
• CHEBI:228060
• (4aS,5R,8R,8aS)-8-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one

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	93.31%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.96%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.33%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.89%	97.25%
CHEMBL1937	Q92769	Histone deacetylase 2	90.14%	94.75%
CHEMBL2581	P07339	Cathepsin D	89.37%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.31%	100.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.00%	93.04%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.89%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.51%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.05%	86.33%
CHEMBL2996	Q05655	Protein kinase C delta	80.68%	97.79%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.49%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682517
• LOTUS: LTS0232248
• wikiData: Q105198398