Sterebin R

Details

• Internal ID: 2b3aedf0-b046-4c0b-819b-babf8eee0845
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (1R,2S,3S,4R,4aS,8aS)-4-[(Z,4S)-4,5-dihydroxy-3-methylpent-2-enyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
• InChI: InChI=1S/C20H36O5/c1-12(13(22)11-21)7-8-14-19(4)10-6-9-18(2,3)16(19)15(23)17(24)20(14,5)25/h7,13-17,21-25H,6,8-11H2,1-5H3/b12-7-/t13-,14-,15-,16+,17+,19-,20+/m1/s1
• InChI Key: QGGRAHWRHLUOQO-YVMARZELSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₆O₅
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.25627424 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: 2.10

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	97.58%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.22%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.08%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.81%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.74%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.15%	94.45%
CHEMBL1937	Q92769	Histone deacetylase 2	86.90%	94.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.26%	97.09%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.53%	100.00%
CHEMBL4370	P16662	UDP-glucuronosyltransferase 2B7	81.26%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.25%	95.89%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.53%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132603617
• LOTUS: LTS0025943
• wikiData: Q77503788