(4aR,8aR)-4,4,7,8a-tetramethyl-8-methylidene-2,3,4a,5-tetrahydro-1H-naphthalene

Details

• Internal ID: 76dfa11d-59ce-47c0-82b7-e60725b41592
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
• IUPAC Name: (4aR,8aR)-4,4,7,8a-tetramethyl-8-methylidene-2,3,4a,5-tetrahydro-1H-naphthalene
• SMILES (Canonical): CC1=CCC2C(CCCC2(C1=C)C)(C)C
• SMILES (Isomeric): CC1=CC[C@H]2[C@](C1=C)(CCCC2(C)C)C
• InChI: InChI=1S/C15H24/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h7,13H,2,6,8-10H2,1,3-5H3/t13-,15+/m1/s1
• InChI Key: IQLMHLRIRXSXLQ-HIFRSBDPSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35 g/mol
• Exact Mass: 204.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.90

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.18%	97.25%
CHEMBL1937	Q92769	Histone deacetylase 2	88.98%	94.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.97%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.02%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	85.32%	86.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.95%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.02%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	80.62%	90.17%

Plants that contains it

• Cistus creticus

Cross-Links

• PubChem: 15726892
• LOTUS: LTS0167006
• wikiData: Q105117966