(15s,17s,19s)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol (CED0274429)

Record Information
Version1.0
Creation Date2026-08-30 00:34:34 UTC
Update Date2026-08-30 00:34:34 UTC
SynCED IDCED0274429
Secondary Accession Numbers
  • CHEM319653
Identification
Common Name(15s,17s,19s)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
ClassSmall Molecule
Description
(15s,17s,19s)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol is a chemical compound with the formula C20H26N2O2. It has an average molecular weight of 326.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H26N2O2
Average Molecular MassNot Available
Monoisotopic Mass326.199 g/mol
CAS Registry Number3382-95-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(CO)O
InChI IdentifierInChI=1S/C20H26N2O2/c1-2-19-9-5-10-21-11-8-15-14-6-3-4-7-16(14)22(17(15)18(19)21)20(24,12-19)13-23/h3-4,6-7,18,23-24H,2,5,8-13H2,1H3/t18-,19+,20+/m1/s1
InChI KeyYCXHPBHFOLIYEB-AABGKKOBSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.369
Statistical Significance
0.1649
Supporting Reference Compounds
200
E-value
1283.66
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.256 Low confidence
Statistical Significance
0.4895
Supporting Reference Compounds
869
E-value
3810.95
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.369
Statistical Significance
0.3314
Supporting Reference Compounds
507
E-value
2579.77
Transient receptor potential cation channel subfamily M member 8 structureClick to view 3D structureTransient receptor potential cation channel subfamily M member 8Q8R4D5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.265 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
8
E-value
8.87481
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.269 Low confidence
Statistical Significance
0.4951
Supporting Reference Compounds
1103
E-value
3854.39
Click to view 3D structure5-hydroxytryptamine receptor 5AP30966Mus musculusPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.237 Low confidence
Statistical Significance
0.0086
Supporting Reference Compounds
14
E-value
66.7946
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1998
Supporting Reference Compounds
297
E-value
1555.19
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.256 Low confidence
Statistical Significance
0.6652
Supporting Reference Compounds
1660
E-value
5178.84
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.237 Low confidence
Statistical Significance
0.2839
Supporting Reference Compounds
380
E-value
2209.98
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1408
Supporting Reference Compounds
203
E-value
1096.04
Mitogen-activated protein kinase kinase kinase 11 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase 11Q16584HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.256 Low confidence
Statistical Significance
0.2071
Supporting Reference Compounds
153
E-value
1612.65
Myosin light chain kinase, smooth muscle structureClick to view 3D structureMyosin light chain kinase, smooth muscleQ15746HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.256 Low confidence
Statistical Significance
0.171
Supporting Reference Compounds
122
E-value
1331.07
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.256 Low confidence
Statistical Significance
0.2399
Supporting Reference Compounds
258
E-value
1867.99
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.256 Low confidence
Statistical Significance
0.6664
Supporting Reference Compounds
1274
E-value
5187.95
5-hydroxytryptamine receptor 5A structureClick to view 3D structure5-hydroxytryptamine receptor 5AP47898HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.237 Low confidence
Statistical Significance
0.2151
Supporting Reference Compounds
225
E-value
1674.69
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.244 Low confidence
Statistical Significance
0.5153
Supporting Reference Compounds
553
E-value
4011.41
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.244 Low confidence
Statistical Significance
0.3817
Supporting Reference Compounds
317
E-value
2971.27
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.244 Low confidence
Statistical Significance
0.1923
Supporting Reference Compounds
130
E-value
1497.2
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.236 Low confidence
Statistical Significance
0.3646
Supporting Reference Compounds
528
E-value
2838.3
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.244 Low confidence
Statistical Significance
0.4905
Supporting Reference Compounds
497
E-value
3818.89
DNA (cytosine-5)-methyltransferase 1 structureClick to view 3D structureDNA (cytosine-5)-methyltransferase 1P13864Mus musculusPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
1
E-value
21.9535
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.233 Low confidence
Statistical Significance
0.773
Supporting Reference Compounds
1130
E-value
6018.06
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.266 Low confidence
Statistical Significance
0.4682
Supporting Reference Compounds
593
E-value
3644.67
Click to view 3D structureD(3) dopamine receptorP19020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.236 Low confidence
Statistical Significance
0.2005
Supporting Reference Compounds
145
E-value
1561.19
Mitogen-activated protein kinase kinase kinase 9 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase 9P80192HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.256 Low confidence
Statistical Significance
0.2046
Supporting Reference Compounds
134
E-value
1592.95
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available