Details of the Drug

General Information of Drug (ID: DMNRWEV)

Drug Name

5-{8(Z),-pentadecenyl}resorcinol

Synonyms

Bilobol; 5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol; 5-[(8Z)-pentadec-8-enyl]resorcinol; CHEBI:3104; CHEMBL461628; 5-(8Z-Pentadecenyl)resorcinol; 22910-86-7; 5-[(Z)-pentadec-8-enyl]benzene-1,3-diol; (Z)-5-(Pentadec-8-en-1-yl)benzene-1,3-diol; Trifurcatol A2; Cardol monoene; 5-{8(Z),-pentadecenyl}resorcinol; Bilobol C15:1; AC1NQZ6L; 21:1-.omega.7-Cardol; SCHEMBL164545; 5-(8'Z-heptadecenyl)resorcinol; DTXSID90872874; TUGAUFMQYWZJAB-FPLPWBNLSA-N; MolPort-005-945-917; ZINC8234356; 5-[8'(Z)-Pentadecenyl]Resorcinol

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

318.5

Logarithm of the Partition Coefficient (xlogp)

8.1

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H34O2
IUPAC Name: 5-[(Z)-pentadec-8-enyl]benzene-1,3-diol
Canonical SMILES: CCCCCC/C=C\\CCCCCCCC1=CC(=CC(=C1)O)O
InChI: InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-
InChIKey: TUGAUFMQYWZJAB-FPLPWBNLSA-N