Details of the Drug

General Information of Drug (ID: DM57LVW)

Drug Name

(-)-cubebin

Synonyms

Cubebin; (-)-Cubebin; 18423-69-3; beta-cubebin; UNII-J237078S8A; (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; EINECS 242-300-6; Tetrahydro-3,4-dipiperonylfuran-2-ol; (8R,8'R,9S)-cubebin; AI3-62265; CHEMBL399831; CHEBI:65684; J237078S8A; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Cubebine; 9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan; 3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; .beta.-Cubebin; 2-Furanol, tetrahydro-3,4-dipiperonyl-; AC1Q59VI; AC1L3KW2; SCHEMBL4884683

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): 0

Molecular Weight (mw)

356.4

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H20O6
IUPAC Name: (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
Canonical SMILES: C1[C@@H]([C@H]([C@H](O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
InChIKey: DIYWRNLYKJKHAM-MDOVXXIYSA-N