8-(5-Hydroxy-3-methylpent-3-enyl)-4,4,7,8-tetramethyl-2,3,4a,5,6,7-hexahydronaphthalen-2-ol

Details

• Internal ID: 30e9da44-ecfc-49e8-9145-add4a9ffc527
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: 8-(5-hydroxy-3-methylpent-3-enyl)-4,4,7,8-tetramethyl-2,3,4a,5,6,7-hexahydronaphthalen-2-ol
• SMILES (Canonical): CC1CCC2C(=CC(CC2(C)C)O)C1(C)CCC(=CCO)C
• SMILES (Isomeric): CC1CCC2C(=CC(CC2(C)C)O)C1(C)CCC(=CCO)C
• InChI: InChI=1S/C20H34O2/c1-14(9-11-21)8-10-20(5)15(2)6-7-17-18(20)12-16(22)13-19(17,3)4/h9,12,15-17,21-22H,6-8,10-11,13H2,1-5H3
• InChI Key: UNUSYEIPWLMAPF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.70

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	99.06%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.65%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.59%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.68%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.14%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.17%	95.89%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.16%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.81%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.53%	97.09%
CHEMBL2581	P07339	Cathepsin D	80.20%	98.95%

Plants that contains it

• Baccharis polifolia

Cross-Links

• PubChem: 163005196
• LOTUS: LTS0221160
• wikiData: Q105276143