1-[(2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol

Details

• Internal ID: 7ea2b3c1-5ecd-4f57-852b-c751574ad36d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 1-[(2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
• InChI: InChI=1S/C20H34O2/c1-18(2)9-5-10-20(4)15-8-11-19(3,17(22)13-21)12-14(15)6-7-16(18)20/h12,15-17,21-22H,5-11,13H2,1-4H3/t15-,16-,17?,19-,20+/m0/s1
• InChI Key: WSYMNFBVLKNIMC-NPZYAJIESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.70

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.58%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.81%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.81%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.75%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.46%	95.89%
CHEMBL2581	P07339	Cathepsin D	89.21%	98.95%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	87.79%	82.69%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.37%	100.00%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.85%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.46%	94.45%

Plants that contains it

• Isodon flavidus

Cross-Links

• PubChem: 15381689
• LOTUS: LTS0092552
• wikiData: Q105312214