Details of the Drug

General Information of Drug (ID: DMD6NZO)

Drug Name

HINOKININ

Synonyms

Hinokinin; (-)-Hinokinin; 26543-89-5; CHEBI:5722; CHEMBL242011; (3R,4R)-3,4-Bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydrofuran-2(3H)-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one; (3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one; hinoquinin; (-)-hinoquinin; AC1L9DKH; Epitope ID:116880; SCHEMBL1121862; MolPort-039-338-821; ZINC1872258; BDBM50218812; AKOS027324070; LS-190466; C10627; (2r,3r)-2,3-di-(3,4-methylenedioxybenzyl)-butyrolactone

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)

354.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H18O6
IUPAC Name: (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Canonical SMILES: C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H18O6/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/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
InChIKey: DDWGQGZPYDSYEL-LSDHHAIUSA-N