trans-Dihydroconfertifolin

Details

• Internal ID: 534fa450-90f1-4502-9a44-f9122262fe8f
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: (3aR,5aS,9aS,9bS)-6,6,9a-trimethyl-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][2]benzofuran-3-one
• InChI: InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h10-12H,4-9H2,1-3H3/t10-,11+,12+,15-/m1/s1
• InChI Key: UQUIQVFHSGQDRL-OXJKWZBOSA-N
• Popularity: 3 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): 26.30 Ų
• XlogP: 4.30

Synonyms

• (3Ar,5aS,9aS,9bS)-6,6,9a-trimethyl-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][2]benzofuran-3-one

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	98.57%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.04%	91.11%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	91.04%	96.38%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.69%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.85%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.11%	100.00%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	84.17%	96.77%
CHEMBL2581	P07339	Cathepsin D	84.08%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.61%	94.45%
CHEMBL4370	P16662	UDP-glucuronosyltransferase 2B7	83.29%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.59%	95.89%
CHEMBL5203	P33316	dUTP pyrophosphatase	82.40%	99.18%
CHEMBL1937	Q92769	Histone deacetylase 2	82.29%	94.75%
CHEMBL1871	P10275	Androgen Receptor	81.30%	96.43%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11356807
• LOTUS: LTS0212887
• wikiData: Q105277461