5-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,5,6,7,8,8a-hexahydroazulen-4-ol

Details

• Internal ID: 8ca408f6-4a57-400b-8468-a73bce462a87
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: 5-(hydroxymethyl)-2,2,4,8-tetramethyl-1,5,6,7,8,8a-hexahydroazulen-4-ol
• SMILES (Canonical): CC1CCC(C(C2=CC(CC12)(C)C)(C)O)CO
• SMILES (Isomeric): CC1CCC(C(C2=CC(CC12)(C)C)(C)O)CO
• InChI: InChI=1S/C15H26O2/c1-10-5-6-11(9-16)15(4,17)13-8-14(2,3)7-12(10)13/h8,10-12,16-17H,5-7,9H2,1-4H3
• InChI Key: KQDBJTFTSGZHJB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.52%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.30%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.98%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	92.04%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.81%	97.25%
CHEMBL2581	P07339	Cathepsin D	85.20%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.49%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.13%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 75238951
• LOTUS: LTS0105921
• wikiData: Q104170509