Molecule

ID:128239

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₆
Molecular Mass
390.47
Exact Mass
390.20423868
Charge
0
InChI
InChI=1S/C22H30O6/c1-7-10-22(13-16(25-3)8-9-19(22)23)14(2)20(24)15-11-17(26-4)21(28-6)18(12-15)27-5/h7-9,11-12,14,16,20,24H,1,10,13H2,2-6H3/t14-,16+,20-,22-/m1/s1
InChIKey
JCRROBQLLRCCAV-SQKDIAQBSA-N
Canonic Smiles
C=CC[C@@]1(C[C@@H](OC)C=CC1=O)[C@@H]([C@H](c1cc(OC)c(c(c1)OC)OC)O)C
Isomeric Smiles
O=C1C=C[C@H](OC)C[C@]1(CC=C)[C@H](C)[C@@H](O)c1cc(OC)c(OC)c(OC)c1
Calculated Properties
JChem
Acid pKa
14.107106
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
3.2665725
LogD (pH = 7.4)
3.2665722
Log P
3.2665725
Molar Refractivity
108.6027
Polarizability
42.00166
Polar Surface Area
74.22
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 64332-37-2|-->|Megaphone (molecule)|<!--|megaphone (molecule)|(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-(prop-2-en-1-yl)cyclohex-2-en-1-one | Molfinder