Occidol

Details

• Internal ID: c0799a62-cead-436d-9c3e-d885f7bbcd3b
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-ol
• SMILES (Canonical): CC1=C2CCC(CC2=C(C=C1)C)C(C)(C)O
• SMILES (Isomeric): CC1=C2CCC(CC2=C(C=C1)C)C(C)(C)O
• InChI: InChI=1S/C15H22O/c1-10-5-6-11(2)14-9-12(15(3,4)16)7-8-13(10)14/h5-6,12,16H,7-9H2,1-4H3
• InChI Key: AFBBWQXTLZVDEE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.33 g/mol
• Exact Mass: 218.167065321 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.50

Synonyms

• AFBBWQXTLZVDEE-UHFFFAOYSA-N
• Q67880033

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
CHEMBL2581	P07339	Cathepsin D	92.03%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.06%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.26%	91.11%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.51%	93.65%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.28%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.80%	97.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.17%	93.56%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.48%	90.93%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.08%	95.89%
CHEMBL1951	P21397	Monoamine oxidase A	81.47%	91.49%

Plants that contains it

• Nicotiana rustica
• Nicotiana tabacum
• Nicotiana undulata
• Thuja occidentalis

Cross-Links

• PubChem: 11020369
• LOTUS: LTS0155559
• wikiData: Q67880033