(7S)-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

Details

• Internal ID: d3e58ba2-20c2-4cf7-851e-296e11bbf589
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: (7S)-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
• SMILES (Canonical): CC(=C)C1CCC2=C(C1)C(=CC=C2)C=O
• SMILES (Isomeric): CC(=C)[C@H]1CCC2=C(C1)C(=CC=C2)C=O
• InChI: InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1
• InChI Key: VKFLVDGYLNXCSO-LBPRGKRZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆O
• Molecular Weight: 200.28 g/mol
• Exact Mass: 200.120115130 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.70

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	96.67%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	95.45%	91.49%
CHEMBL2581	P07339	Cathepsin D	94.78%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.84%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.69%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.37%	100.00%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	89.06%	81.29%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.14%	95.89%
CHEMBL4040	P28482	MAP kinase ERK2	85.27%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.70%	86.33%
CHEMBL217	P14416	Dopamine D2 receptor	84.09%	95.62%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.42%	95.89%

Plants that contains it

• Senecio squalidus

Cross-Links

• PubChem: 163090285
• LOTUS: LTS0143585
• wikiData: Q105287716