Details of the Drug

General Information of Drug (ID: DMXYAIQ)

Drug Name

(E)-Octadec-9-enal

Synonyms

9-OCTADECENAL; Octadecenyl aldehyde; (E)-Octadec-9-enal; UNII-979G27P46D; CHEMBL190707; 979G27P46D; 9-Octadecenal, (9E)-; 5090-41-5; E-9-Octadecenal; 9-Octadecenal, (E)-; FEMA No. 4059, E-; 10009-79-7; (9E)-9-Octadecenal; (9E)-9-Octadecenal #; AC1NR25P; SCHEMBL260834; DTXSID9074305; ZENZJGDPWWLORF-MDZDMXLPSA-N; MolPort-044-723-520; LMFA06000099; BDBM50170061; UNII-971UC454BB component ZENZJGDPWWLORF-MDZDMXLPSA-N

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

266.5

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

15

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C18H34O
IUPAC Name: (E)-octadec-9-enal
Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC=O
InChI: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
InChIKey: ZENZJGDPWWLORF-MDZDMXLPSA-N

Cross-matching ID

PubChem CID: 5283381
CAS Number: 5090-41-5
TTD ID: D0E4FJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The taming of capsaicin. Reversal of the vanilloid activity of N-acylvanillamines by aromatic iodination. J Med Chem. 2005 Jul 14;48(14):4663-9.