General
Preferred name
Goitrin
Synonyms
DL-Goitrin ()
D-Goitrin ()
Goitrine ()
DL-Goitrin, (R, S)-Goitrin, R,S-goitrin ()
(±)-Goitrin ()
P&D ID
PD087182
CAS
13190-34-6
1072-93-1
13997-13-2
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Goitrin is a natural bitter-tasting compound that is present in the mustard species plant Isatis tinctoria (woad). (GtoPdb)
Compound Sets
6
Cayman Chemical Bioactives
26382
Concise Guide to Pharmacology 2023/24
12495
Guide to Pharmacology
12495
MedChem Express Bioactive Compound Library
HY-N5056
Selleckchem Bioactive Compound Library
goitrin
TargetMol Bioactive Compound Library
T2S1778
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
129.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
0.45
TPSA
21.26
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
5.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
bovine adrenal dopamine beta-hydroxylase
Influenza Virus
MOA
Antiviral
Pathway
Immunology/Inflammation
Anti-infection
Source data