Sddddljocmwsoq-nebzkdrisa-

Details

• Internal ID: d9fd1d43-3e72-4568-9f4a-35ec1870e29a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3R,6S,8S,9R)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene-3,9-diol
• SMILES (Canonical): CC1=C2CC(C(C2CC3(C1(CC3)O)C)O)(C)C
• SMILES (Isomeric): CC1=C2CC([C@@H]([C@H]2C[C@]3([C@@]1(CC3)O)C)O)(C)C
• InChI: InChI=1S/C15H24O2/c1-9-10-7-13(2,3)12(16)11(10)8-14(4)5-6-15(9,14)17/h11-12,16-17H,5-8H2,1-4H3/t11-,12+,14-,15-/m0/s1
• InChI Key: SDDDDLJOCMWSOQ-NEBZKDRISA-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: 1.50

Synonyms

• InChI=1/C15H24O2/c1-9-10-7-13(2,3)12(16)11(10)8-14(4)5-6-15(9,14)17/h11-12,16-17H,5-8H2,1-4H3/t11-,12+,14-,15-/m0/s1

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	92.45%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	87.85%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.85%	96.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.81%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.18%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.07%	92.94%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	84.97%	95.58%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.15%	100.00%
CHEMBL2996	Q05655	Protein kinase C delta	83.28%	97.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.84%	91.11%
CHEMBL1871	P10275	Androgen Receptor	81.72%	96.43%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14544222
• LOTUS: LTS0081998
• wikiData: Q105250570