6,6,9a-Trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-ol

Details

• Internal ID: 9b1c81c1-18b3-47a8-846f-53851cf8ccd0
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-ol
• SMILES (Canonical): CC1(CCCC2(C1CC=C3C2C(OC3)O)C)C
• SMILES (Isomeric): CC1(CCCC2(C1CC=C3C2C(OC3)O)C)C
• InChI: InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-13,16H,4,6-9H2,1-3H3
• InChI Key: FCSNZJLUQLZSBW-UHFFFAOYSA-N
• Popularity: 0 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): 29.50 Ų
• XlogP: 3.10

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.55%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.92%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.12%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.50%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.34%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.39%	97.09%
CHEMBL1937	Q92769	Histone deacetylase 2	82.10%	94.75%
CHEMBL2581	P07339	Cathepsin D	80.69%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.19%	86.33%

Plants that contains it

• Persicaria hydropiper
• Porella vernicosa

Cross-Links

• PubChem: 72800963
• LOTUS: LTS0034000
• wikiData: Q104993316