Details of the Drug

General Information of Drug (ID: DM0EBWR)

Drug Name

5-{8(Z),11(Z)-pentadecadienyl}resorcinol

Synonyms

5-{8(Z),11(Z)-pentadecadienyl}resorcinol; CHEMBL459604; 5-(8,11-Pentadecadienyl)-1,3-benzenediol; 5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol; Cardoldiene; 5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)benzene-1,3-diol; SCHEMBL9475761; DTXSID70872872; MolPort-005-944-663; 79473-25-9; ZINC31157863; LMPK15030021; BDBM50292428; AKOS030555484; MCULE-2398296746; RESORCINOL(15:2(8Z,11Z)); 5-(pentadeca-8,11-dienyl)benzene-1,3-diol; 5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)resorcinol

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)

316.5

Logarithm of the Partition Coefficient (xlogp)

7.4

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H32O2
IUPAC Name: 5-[(8Z,11Z)-pentadeca-8,11-dienyl]benzene-1,3-diol
Canonical SMILES: CCC/C=C\\C/C=C\\CCCCCCCC1=CC(=CC(=C1)O)O
InChI: InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
InChIKey: UFMJCOLGRWKUKO-UTOQUPLUSA-N