isovelleral

Ligand id: 6287

Name: isovelleral

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 34.14
Molecular weight 232.15
XLogP 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
Synonyms
(+)-isovelleral | iso-velleral
Database Links
CAS Registry No. 37841-91-1 (source: SciFinder)
ChEMBL Ligand CHEMBL518292
PubChem CID 37839
Search Google for chemical match using the InChIKey PJAAESPGJOSQGZ-DZGBDDFRSA-N
Search Google for chemicals with the same backbone PJAAESPGJOSQGZ
Search UniChem for chemical match using the InChIKey PJAAESPGJOSQGZ-DZGBDDFRSA-N
Search UniChem for chemicals with the same backbone PJAAESPGJOSQGZ