[(1r)-1-[(7r,9r)-7-(methoxymethoxy)-11-methyl-5,14-dioxa-11-azatetracyclo[7.5.3.01,9.02,6]heptadeca-2(6),3,16-trien-17-yl]ethyl] naphthalene-1-carboxylate (CED0300993)

Record Information

Version

1.0

Creation Date

2026-08-31 15:54:36 UTC

Update Date

2026-08-31 15:54:36 UTC

SynCED ID

CED0300993

Secondary Accession Numbers

CHEM346581

Identification

Common Name

[(1r)-1-[(7r,9r)-7-(methoxymethoxy)-11-methyl-5,14-dioxa-11-azatetracyclo[7.5.3.01,9.02,6]heptadeca-2(6),3,16-trien-17-yl]ethyl] naphthalene-1-carboxylate

Class

Small Molecule

Description

[(1r)-1-[(7r,9r)-7-(methoxymethoxy)-11-methyl-5,14-dioxa-11-azatetracyclo[7.5.3.01,9.02,6]heptadeca-2(6),3,16-trien-17-yl]ethyl] naphthalene-1-carboxylate is a chemical compound with the formula C30H33NO6. With an average molecular weight of 503.60 g/mol, [(1r)-1-[(7r,9r)-7-(methoxymethoxy)-11-methyl-5,14-dioxa-11-azatetracyclo[7.5.3.01,9.02,6]heptadeca-2(6),3,16-trien-17-yl]ethyl] naphthalene-1-carboxylate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₀H₃₃NO₆

Average Molecular Mass

Not Available

Monoisotopic Mass

503.231 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C1=CCC23C1(CC(C4=C2C=CO4)OCOC)CN(CCO3)C)OC(=O)C5=CC=CC6=CC=CC=C65

InChI Identifier

InChI=1S/C30H33NO6/c1-20(37-28(32)23-10-6-8-21-7-4-5-9-22(21)23)24-11-13-30-25-12-15-34-27(25)26(35-19-33-3)17-29(24,30)18-31(2)14-16-36-30/h4-12,15,20,26H,13-14,16-19H2,1-3H3/t20-,26-,29+,30?/m1/s1

InChI Key

AVIHKEIPFAESNB-MDCKFEOESA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
892.0 Log mg/kg [500:1600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.283 Low confidence Statistical Significance 0.0163 Supporting Reference Compounds 83 E-value 126.661
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.071 Supporting Reference Compounds 200 E-value 553.041
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.277 Low confidence Statistical Significance 0.1014 Supporting Reference Compounds 175 E-value 789.158
Click to view 3D structure	Prostaglandin-H2 D-isomerase	O09114	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.283 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 7 E-value 56.5964
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.243 Low confidence Statistical Significance 0.1642 Supporting Reference Compounds 229 E-value 1278.6
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.241 Low confidence Statistical Significance 0.8817 Supporting Reference Compounds 1498 E-value 6864.35
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.237 Low confidence Statistical Significance 0.1903 Supporting Reference Compounds 164 E-value 1481.24
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.241 Low confidence Statistical Significance 0.2111 Supporting Reference Compounds 94 E-value 1643.55
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.243 Low confidence Statistical Significance 0.6351 Supporting Reference Compounds 532 E-value 4944.52
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.225 Low confidence Statistical Significance 0.9228 Supporting Reference Compounds 1538 E-value 7184.16
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.248 Low confidence Statistical Significance 0.716 Supporting Reference Compounds 861 E-value 5574.39
Click to view 3D structure	Prolyl endopeptidase	P48147	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.253 Low confidence Statistical Significance 0.0899 Supporting Reference Compounds 37 E-value 700.254
Click to view 3D structure	Cyclin-dependent kinase 8	P49336	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.209 Low confidence Statistical Significance 0.6759 Supporting Reference Compounds 367 E-value 5261.83
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.209 Low confidence Statistical Significance 0.7812 Supporting Reference Compounds 668 E-value 6081.81
Click to view 3D structure	Serine/threonine-protein kinase TAO1	Q7L7X3	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.209 Low confidence Statistical Significance 0.7541 Supporting Reference Compounds 620 E-value 5870.69
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.265 Low confidence Statistical Significance 0.0833 Supporting Reference Compounds 39 E-value 648.484
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.243 Low confidence Statistical Significance 0.6597 Supporting Reference Compounds 527 E-value 5135.71
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.209 Low confidence Statistical Significance 0.8209 Supporting Reference Compounds 1010 E-value 6390.49
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.209 Low confidence Statistical Significance 0.8071 Supporting Reference Compounds 782 E-value 6283.37
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.237 Low confidence Statistical Significance 0.2838 Supporting Reference Compounds 199 E-value 2209.44
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.265 Low confidence Statistical Significance 0.0707 Supporting Reference Compounds 42 E-value 550.083
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.209 Low confidence Statistical Significance 0.7797 Supporting Reference Compounds 674 E-value 6069.98
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.209 Low confidence Statistical Significance 0.7992 Supporting Reference Compounds 779 E-value 6221.87
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.243 Low confidence Statistical Significance 0.5878 Supporting Reference Compounds 427 E-value 4576.13
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 5	P22460	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.216 Low confidence Statistical Significance 0.105 Supporting Reference Compounds 37 E-value 817.65