5-(1-Hydroxypropan-2-yl)-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-2-ol

Details

• Internal ID: d302c697-2fde-4d80-b2b5-fc4ebe2688e7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 5-(1-hydroxypropan-2-yl)-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-2-ol
• SMILES (Canonical): CC1=CCC(C2C1CC(C(=C2)C)O)C(C)CO
• SMILES (Isomeric): CC1=CCC(C2C1CC(C(=C2)C)O)C(C)CO
• InChI: InChI=1S/C15H24O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h4,6,11-17H,5,7-8H2,1-3H3
• InChI Key: KOEIHUNMBSXMQT-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: 1.60

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	93.27%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.03%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.45%	97.25%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	86.79%	97.23%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.60%	93.56%
CHEMBL2996	Q05655	Protein kinase C delta	83.96%	97.79%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.24%	89.62%
CHEMBL2885	P07451	Carbonic anhydrase III	82.62%	87.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.74%	95.56%
CHEMBL2581	P07339	Cathepsin D	81.31%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162942708
• LOTUS: LTS0099634
• wikiData: Q104170457