Isosativenetriol

Details

• Internal ID: a42de807-a1dd-4f6f-be90-b49729cc3790
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
• InChI: InChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12?,13?,15?/m0/s1
• InChI Key: ZAMMUPBTBWXWKL-CVSQCXRCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 1.00

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	96.09%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.97%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.50%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.62%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.55%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.71%	97.25%
CHEMBL2581	P07339	Cathepsin D	87.13%	98.95%
CHEMBL1871	P10275	Androgen Receptor	84.52%	96.43%
CHEMBL259	P32245	Melanocortin receptor 4	83.98%	95.38%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.10%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	82.41%	95.93%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.76%	100.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.61%	90.93%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.29%	92.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584206
• LOTUS: LTS0209169
• wikiData: Q77280948