(2R,4aR,6R,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-2,6-diol

Details

• Internal ID: 76652e5d-d883-475b-9c39-f159effa735a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (2R,4aR,6R,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-2,6-diol
• InChI: InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,15-17,21-22H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1
• InChI Key: HSEBHBOVPDOIEQ-GNVJSZRZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.08%	91.11%
CHEMBL1902	P62942	FK506-binding protein 1A	90.74%	97.05%
CHEMBL1951	P21397	Monoamine oxidase A	90.26%	91.49%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.05%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.04%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.24%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.54%	92.94%
CHEMBL226	P30542	Adenosine A1 receptor	85.69%	95.93%
CHEMBL1977	P11473	Vitamin D receptor	85.49%	99.43%
CHEMBL2581	P07339	Cathepsin D	84.97%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.17%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.96%	94.45%
CHEMBL2959	Q08881	Tyrosine-protein kinase ITK/TSK	81.01%	95.00%
CHEMBL259	P32245	Melanocortin receptor 4	80.46%	95.38%

Plants that contains it

• Stillingia sanguinolenta

Cross-Links

• PubChem: 23731227
• LOTUS: LTS0174743
• wikiData: Q105032996