6-ethenyl-1,4a,6-trimethyl-3,4,7,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

Details

• Internal ID: 8618d2d7-cd50-4439-8feb-92f02d1519b6
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 6-ethenyl-1,4a,6-trimethyl-3,4,7,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
• InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-14-7-8-16-19(3,15(14)13-18)10-6-11-20(16,4)17(21)22/h5,13-14,16H,1,6-12H2,2-4H3,(H,21,22)
• InChI Key: RRYPRCLLARNSER-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.50 g/mol
• Exact Mass: 302.224580195 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.80

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
CHEMBL4040	P28482	MAP kinase ERK2	98.50%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.82%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.35%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.44%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.70%	94.45%
CHEMBL340	P08684	Cytochrome P450 3A4	84.71%	91.19%
CHEMBL2581	P07339	Cathepsin D	82.70%	98.95%
CHEMBL4246	P42680	Tyrosine-protein kinase TEC	80.60%	82.05%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.58%	93.00%

Plants that contains it

• Coleonema pulchellum

Cross-Links

• PubChem: 85139606
• LOTUS: LTS0075034
• wikiData: Q105244451