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

Details

• Internal ID: 66febf0d-a097-45db-a9b8-11e52b14b649
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: 1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
• SMILES (Canonical): CC1C(CCC2=CCC(CC12C)C(=C)C)O
• SMILES (Isomeric): CC1C(CCC2=CCC(CC12C)C(=C)C)O
• InChI: InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3
• InChI Key: TWGYXCCDWSORFO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.35 g/mol
• Exact Mass: 220.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.48%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	94.40%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.98%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.93%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.13%	97.25%
CHEMBL2581	P07339	Cathepsin D	86.87%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.36%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.58%	95.89%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 14486925
• LOTUS: LTS0171458
• wikiData: Q105265827