Molecular Details
DICL_CP_0411931
- [(1R2S3R6S8Z10S12R14R15R)-12-dihydroxy-3771014-pentamethyl-11-oxo-1617-dioxatricyclo[10.3.1.136]heptadec-8-en-15-yl] (E)-3-methylpent-2-enoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0411931
PubChem CID
Molecular Formula
C26H40O7 Molecular Weight
464.599 g/mol
Synonyms/Alias
[Tonantzitlolone; 845811-30-5; (E)-(1R2S3R6S10S12R14R15RE)-12-Dihydroxy-3771014-pentamethyl-11-oxo-1617-dioxatricyclo[10.3.1.136]heptadec-8-en-15-yl 3-methylpent-2-enoate; [(1R2S3R6S8Z10S12R14R15R)-12...
InChI Key
YMEAIOHYSIGDJY-VDLZEVDKSA-N
InChI
InChI=1S/C26H40O7/c1-8-15(2)13-20(27)31-22-17(4)14-18-21(28)16(3)9-11-24(5,6)19-10-12-25(7,33-19)23(...
IUPAC Name
[(1R2S3R6S8Z10S12R14R15R)-12-dihydroxy-3771014-pentamethyl-11-oxo-1617-dioxatricyclo[10.3.1.136]heptadec-8-en-15-yl] (E)-3-methylpent-2-enoate
CAS Number
845811-30-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
73 75 0 0 0 0 0 0 0 0999 V2000
7.2787 -3.3627 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0422 -3.8142 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8951 -2.848...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 1/4
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 140 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−100 to 100 mV mV
Temperature
21 ± 3 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
33
Rotatable Bonds
3
logP
3.4679
Complexity
123.1426
TPSA (Ų)
102.29
H-Bond Donors
2
H-Bond Acceptors
7
Ring Count
3