Kandenol B

Details

• Internal ID: bc49c2b0-b04c-47d2-9605-45fc13a54649
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• IUPAC Name: (4aS,6R,7R,8aS)-4a,7-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
• InChI: InChI=1S/C15H24O4/c1-9-5-10(16)6-14(4)8-12(17)11(13(2,3)18)7-15(9,14)19/h5,11-12,17-19H,6-8H2,1-4H3/t11-,12-,14-,15-/m1/s1
• InChI Key: FJPRABNPMYDAOJ-QHSBEEBCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₄
• Molecular Weight: 268.35 g/mol
• Exact Mass: 268.16745924 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 0.40

Synonyms

• CHEMBL2208381

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	97.03%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.57%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.44%	85.14%
CHEMBL2581	P07339	Cathepsin D	91.49%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.80%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.18%	96.09%
CHEMBL1871	P10275	Androgen Receptor	84.64%	96.43%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.46%	89.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.10%	93.04%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.09%	100.00%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	83.29%	96.77%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.93%	96.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.72%	99.23%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.53%	93.40%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71459823
• LOTUS: LTS0222004
• wikiData: Q104996264