7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,5,6,7-hexahydro-1H-azulen-1-ol

Details

• Internal ID: caa9b172-1b31-4e87-a6f4-2ee2e23042f2
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: 7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,5,6,7-hexahydro-1H-azulen-1-ol
• InChI: InChI=1S/C15H26O3/c1-9-4-5-10(7-16)12(8-17)13-11(9)6-15(2,3)14(13)18/h9-11,14,16-18H,4-8H2,1-3H3
• InChI Key: VAKGCQGAOMIBKI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 0.70

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	98.07%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.36%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	95.92%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.70%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.18%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.38%	100.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.44%	85.14%
CHEMBL2581	P07339	Cathepsin D	80.83%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.12%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 75238904
• LOTUS: LTS0136390
• wikiData: Q104199155