Details of the Drug

General Information of Drug (ID: DMBR7O0)

Drug Name

SALVINORIN B

Synonyms

Salvinorin B; CHEMBL424698; 92545-30-7; Divinorin B; (-)-Salvinorin B; SCHEMBL3144611; DTXSID50465988; BLTMVAIOAAGYAR-CEFSSPBYSA-N; (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester; ZINC15449154; BDBM50189136; Salvinorin B, > =93.0% (HPLC); AKOS027326793; NCGC00181787-01; Salvinorin B solution, 1.0 mg/mL in acetonitrile: water (9:1), ampule of 1 mL, certified reference material; [2S-(2; A,4a; A,6a; A,9; A,10a; A,10b

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): 0

Molecular Weight (mw)

390.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C21H26O7
IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Canonical SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)O)C)C4=COC=C4
InChI: InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChIKey: BLTMVAIOAAGYAR-CEFSSPBYSA-N