IMPPAT | IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics

IMPPAT Phytochemical information:
Rhodonin

Rhodonin

Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017949

Phytochemical name: Rhodonin

Synonymous chemical names:
Rhodonin

External chemical identifiers:
CID:CID_129882204

Chemical structure information

SMILES:
[CH-]=C/C=C\C=C/C=[CH-].[Rh+2]

InChI:
InChI=1S/C8H8.Rh/c1-3-5-7-8-6-4-2;/h1-8H;/q-2;+2/b7-5-,8-6-;

InChIKey:
XOXNVUSEAGEJBO-OVDGFJEXSA-N

DeepSMILES:
[CH-]=C/C=C\C=C/C=[CH-].[Rh+2]

Functional groups:
[CH-]=C/C=C\C=C/C=[CH-], [Rh+2]

Chemical classification

NP-Likeness score: 0.443

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT