1,4-dimethyl-7-prop-1-en-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulene-1,2-diol

Details

• Internal ID: 8038fc58-2694-4655-8eb7-475539d885c0
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes
• IUPAC Name: 1,4-dimethyl-7-prop-1-en-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulene-1,2-diol
• InChI: InChI=1S/C15H24O2/c1-9(2)11-6-5-10(3)12-8-14(16)15(4,17)13(12)7-11/h5,11-14,16-17H,1,6-8H2,2-4H3
• InChI Key: YHORGZUUIUVCKR-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): 40.50 Ų
• XlogP: 2.30

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
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	94.70%	97.21%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.83%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.51%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.09%	96.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.73%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.58%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.11%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	85.39%	83.82%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	83.74%	85.30%
CHEMBL2996	Q05655	Protein kinase C delta	83.06%	97.79%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.73%	95.56%

Plants that contains it

• Dolichlasium lagascae

Cross-Links

• PubChem: 163029034
• LOTUS: LTS0122414
• wikiData: Q105348534