forsythoside B

Ligand id: 10303

Name: forsythoside B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 14
Topological polar surface area 304.21
Molecular weight 756.25
XLogP -0.64
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Comments
Forsythoside B is a naturallt occurring compound found in Lamiophlomis rotata Kudo plants. It has demonstrated in vivo antipruritic activity via inhibition of the thermosensitive TRPV3 ion channel in the skin [1]. Chemically it is a phenylethanoid glycoside.
Database Links
CAS Registry No. 81525-13-5 (source: PubChem)
GtoPdb PubChem SID 381744984
PubChem CID 23928102
Search Google for chemical match using the InChIKey JMBINOWGIHWPJI-UNSOMVRXSA-N
Search Google for chemicals with the same backbone JMBINOWGIHWPJI
Search UniChem for chemical match using the InChIKey JMBINOWGIHWPJI-UNSOMVRXSA-N
Search UniChem for chemicals with the same backbone JMBINOWGIHWPJI