3,11,12-Trihydroxycadalene

Details

• Internal ID: 8454604b-f06f-494c-a4ab-bec343ff4450
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2-(6-hydroxy-4,7-dimethylnaphthalen-1-yl)propane-1,2-diol
• InChI: InChI=1S/C15H18O3/c1-9-4-5-13(15(3,18)8-16)12-6-10(2)14(17)7-11(9)12/h4-7,16-18H,8H2,1-3H3
• InChI Key: NUGNBKUCKSHEKS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30 g/mol
• Exact Mass: 246.125594432 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 2.20

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	95.75%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	92.13%	94.73%
CHEMBL2581	P07339	Cathepsin D	91.17%	98.95%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	89.41%	90.93%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.22%	95.56%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.44%	89.62%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.26%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.96%	86.33%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.32%	93.65%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16086628
• LOTUS: LTS0135372
• wikiData: Q77278984