3-(3,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid

Details

• Internal ID: 8186b9b7-b40c-4bbc-9d00-4907a6b3fd3e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 3-(3,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
• InChI: InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h5,8-9,12-14H,4,6-7H2,1-3H3,(H,16,17)
• InChI Key: FUHPCDQQVWLRRY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.40

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.55%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.42%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.07%	93.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.30%	91.11%
CHEMBL2581	P07339	Cathepsin D	84.61%	98.95%
CHEMBL1871	P10275	Androgen Receptor	83.61%	96.43%
CHEMBL340	P08684	Cytochrome P450 3A4	83.47%	91.19%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	81.59%	94.80%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.23%	86.33%

Plants that contains it

• Valeriana officinalis

Cross-Links

• PubChem: 162951451
• LOTUS: LTS0194240
• wikiData: Q105001715