(2R,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol

Details

• Internal ID: 3025e2b0-9936-431c-a088-300e8f5ced1b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2R,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
• SMILES (Canonical): CC1CCC(C2=CC(CCC12)(C)O)C(C)C
• SMILES (Isomeric): C[C@H]1CC[C@H](C2=C[C@](CC[C@H]12)(C)O)C(C)C
• InChI: InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11-,12-,13+,15+/m0/s1
• InChI Key: IHEUASSNMSDWFX-RMRHIDDWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.50

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	95.23%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.26%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.18%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.21%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.60%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.27%	93.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.54%	100.00%
CHEMBL2581	P07339	Cathepsin D	83.19%	98.95%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.68%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.21%	97.09%

Plants that contains it

• Chamaecyparis obtusa

Cross-Links

• PubChem: 10933068
• LOTUS: LTS0037485
• wikiData: Q105112966