Cartilagineol

Details

• Internal ID: c1471db0-5842-4172-bebf-144611017844
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes
• IUPAC Name: (3R,4S,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
• InChI: InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11+,12-,14+,15+/m1/s1
• InChI Key: KKDUTGUFMQDATD-MIBAYGRRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₃Br₂ClO
• Molecular Weight: 414.60 g/mol
• Exact Mass: 413.97837 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 4.70

Synonyms

• CHEMBL449617

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.70%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.38%	90.17%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.08%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.44%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	86.02%	94.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.95%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.19%	89.34%
CHEMBL218	P21554	Cannabinoid CB1 receptor	84.55%	96.61%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.20%	91.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44583711
• LOTUS: LTS0199477
• wikiData: Q105142150