Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one

Details

• Internal ID: 1a235271-9f48-4f26-a80c-d59f6f30ec52
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
• InChI: InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3
• InChI Key: IMKJGXCIJJXALX-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.193280068 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 4.30

Synonyms

• EINECS 214-933-8
• Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
• Decahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan-2(1H)-one
• Naphtho(2,1-b)furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-
• 1-Naphthaleneacetic acid, decahydro-2-hydroxy-2,5,5,8a-tetramethyl-, gamma-lactone
• Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-
• RefChem:585310
• 214-933-8
• Norambreinolide
• Norambreinolid
• (+)-Norambreinolide
• 3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one
• 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
• Decahydrotetramethylnaphthofuranone
• Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-
• Norambreinolide dorm
• SCHEMBL1094480
• FEMA 3794
• DTXSID50859489
• 3a,6,6,9a-Tetramethyl-decahydro-naphtho[2,1-b]furan-2-one
• 3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-2-one
• MFCD00632145
• STK802504
• 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one
• AKOS000670164
• AKOS022060557
• NCGC00328210-01
• AS-13781
• NS00012188
• AB01227966-03
• Q7434120
• BRD-A58481291-001-01-6
• 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydro-benzo[e]benzofuran-2-one
• Naphtho[2,1-b]furan-2(1H)-one, 3a,4,5,5a.alpha.,6,7,8,9,9a,9b.alpha.-decahydro-3a.beta.,6,6,9a.beta.-tetramethyl-
• Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, [3ar-(3a.alpha.,5a.beta.,9a.alpha.,9b.beta.)]-

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	94.81%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.56%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.60%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.75%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.74%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.39%	93.04%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.36%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.09%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.57%	94.45%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	82.63%	96.38%
CHEMBL1902	P62942	FK506-binding protein 1A	82.06%	97.05%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.87%	82.69%
CHEMBL4370	P16662	UDP-glucuronosyltransferase 2B7	80.66%	100.00%
CHEMBL5203	P33316	dUTP pyrophosphatase	80.45%	99.18%

Plants that contains it

• Arnica angustifolia
• Cyperus erectus
• Lindheimera texana
• Sideritis nutans

Cross-Links

• PubChem: 61129
• LOTUS: LTS0052257
• wikiData: Q7434120