General
Preferred name
(-)-GALLOCATECHIN
Synonyms
(−)-Gallocatechin ()
(?)-GC ()
(2S,3R)-gallocatechin ()
(?)-GC(2S,3R)-gallocatechin ()
P&D ID
PD007209
CAS
3371-27-5
Tags
nuisance
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
AdooQ Bioactive Compound Library
A12003
Cayman Chemical Bioactives
16944
MedChem Express Bioactive Compound Library
HY-N0521
Nuisance compounds in cellular assays
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
306.07
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.25
TPSA
130.61
Fraction CSP3
0.2
Chiral centers
2.0
Largest ring
6.0
QED
0.44
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data