8a-methyl-5-methylidene-3-propan-2-ylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalene-1,2-diol

Details

• Internal ID: 3e3911ed-0033-48c3-bc76-5ca65cc00bbd
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 8a-methyl-5-methylidene-3-propan-2-ylidene-2,4,4a,6,7,8-hexahydro-1H-naphthalene-1,2-diol
• SMILES (Canonical): CC(=C1CC2C(=C)CCCC2(C(C1O)O)C)C
• SMILES (Isomeric): CC(=C1CC2C(=C)CCCC2(C(C1O)O)C)C
• InChI: InChI=1S/C15H24O2/c1-9(2)11-8-12-10(3)6-5-7-15(12,4)14(17)13(11)16/h12-14,16-17H,3,5-8H2,1-2,4H3
• InChI Key: IJTIXFJMOOVKPI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 40.50 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	92.99%	91.11%
CHEMBL1977	P11473	Vitamin D receptor	92.82%	99.43%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.00%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.78%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.06%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.55%	100.00%
CHEMBL2581	P07339	Cathepsin D	81.49%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73035395
• LOTUS: LTS0229732
• wikiData: Q104168861