General
Preferred name
(Iso) (-)-Zuonin A
Synonyms
rel-(8R,8'R)-Dimethyl-(7S,7'R)-bis(3,4-methylenedioxyphenyl)tetrahydro-furan ()
P&D ID
PD125681
CAS
178740-32-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION rel-(8R,8'R)-Dimethyl-(7S,7'R)-bis(3,4-methylenedioxyphenyl)tetrahydro-furan is a chemical constituent of the fruit of Myristica fragrans.
PRICE 149
DESCRIPTION Rel-(8R,8'R)-Dimethyl-(7S,7'R)-bis(3,4-methylenedioxyphenyl)tetrahydrofuran is a chemical component found in the fruit of nutmeg.
Compound Sets
1
MedChem Express Bioactive Compound Library
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
340.13
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
2
cLogP
4.23
TPSA
46.15
Fraction CSP3
0.4
Chiral centers
4.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data