beta-Cannabispiranol

Details

• Internal ID: a63550fe-be4d-4dd4-b182-258b753ead6d
• Taxonomy: Benzenoids > Indanes > Indan-1-spirocyclohexanes
• IUPAC Name: 6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexane]-1',4-diol
• InChI: InChI=1S/C15H20O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h8-9,11,16-17H,2-7H2,1H3
• InChI Key: ZFFYHYZOCYEEPL-UHFFFAOYSA-N
• Popularity: 12 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 2.80

Synonyms

• alpha-Cannabispiranol
• 64052-90-0
• 69636-83-5
• beta-Cannabispiranol
• 6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexane]-1',4-diol
• trans-2',3'-Dihydro-5'-methoxyspiro[cyclohexane-1,1'-[1H]indene]-4,7'-diol
• cis-2',3'-Dihydro-5'-methoxyspiro[cyclohexane-1,1'-[1H]indene]-4,7'-diol; Cannabispirol
• |A-Cannabispiranol
• Spiro(cyclohexane-1,1'-(1H)indene)-4,7'-diol, 2',3'-dihydro-5'-methoxy-, cis-
• CHEMBL4090994
• SCHEMBL12954544
• DTXSID90982447
• 7'-Hydroxy-5'-methoxyspiro(cyclohexane-1,1'-indan)-4beta-ol
• AKOS032948862
• AKOS040761453
• FS-9275
• FS-9282
• 5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol

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	97.92%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.47%	96.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	93.32%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.57%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	92.14%	92.94%
CHEMBL226	P30542	Adenosine A1 receptor	91.52%	95.93%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.20%	95.89%
CHEMBL5203	P33316	dUTP pyrophosphatase	91.02%	99.18%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.64%	97.09%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	89.99%	91.79%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.99%	99.15%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	87.80%	92.68%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	87.24%	91.03%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.79%	94.45%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.04%	95.89%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.43%	93.99%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.60%	91.07%

Plants that contains it

• Cannabis sativa

Cross-Links

• PubChem: 194174
• LOTUS: LTS0083432
• wikiData: Q72515087