Methyl isodrimeninol

Details

• Internal ID: 2b83f0dd-e5ab-47ea-bdbb-1e8139738c49
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: (1R,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
• InChI: InChI=1S/C16H26O2/c1-15(2)8-5-9-16(3)12(15)7-6-11-10-18-14(17-4)13(11)16/h6,12-14H,5,7-10H2,1-4H3/t12-,13+,14+,16-/m0/s1
• InChI Key: ZRMYQEWJUHSZKS-NHIYQJMISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.193280068 g/mol
• Topological Polar Surface Area (TPSA): 18.50 Ų
• XlogP: 3.70

Synonyms

• 442851-27-6
• (1R,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
• AKOS032961765
• FS-9893

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	96.12%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.32%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.39%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.90%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.28%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.10%	86.33%
CHEMBL1937	Q92769	Histone deacetylase 2	83.06%	94.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.86%	97.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.63%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.73%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.25%	92.94%

Plants that contains it

• Tasmannia lanceolata

Cross-Links

• PubChem: 91885055
• LOTUS: LTS0136119
• wikiData: Q105382088