General
Preferred name
BAKUCHIOL
Synonyms
Drupanol ()
(S)-(+)-Bakuchiol ()
UP-256 ()
UP 256 ()
(S)-Bakuchiol ()
Sytenol a ()
P&D ID
PD012036
CAS
10309-37-2
Tags
available
drug candidate
Drug Status
investigational
Max Phase
1.0
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 Bakuchiol is a phytoestrogen that can be obtained from psoralen seeds. Bakuchiol has been proven to be a non-competitive inhibitor of multiple enzymes, including UDP-glucuronosyltransferase 2B7 (UGT2B7) [2] and human carboxylesterase 2 (hCE2) [3], with IC50s values of 40.9 ¦ÌM and 7.28 ¦ÌM, respectively. Bakuchiol exhibits significant research and application potential in areas such as anti-inflammatory[5], antibacterial[4], antitumor[1] therapies, as well as drug metabolism regulation.
PRICE 40
DESCRIPTION Bakuchiol is a phytoestrogen isolated from the seeds of Psoralea corylifolia L. It has anti-nephropathic, antioxidant and antibacterial actions. (Enamine Bioactive Compounds)
DESCRIPTION Bakuchiol possesses anti-tumor,and anti-helmenthic properties. It has cytotoxic activity, mainly due to its DNA polymerase1 inhibiting activity. Bakuchiol has anti-bacterial activity against oral pathogens, has great potential for use in food additives and mouthwash for preventing and treating dental caries. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
11684
ChEMBL Drugs
CHEMBL262344
Drug Repurposing Hub
DrugBank
DB16102
Enamine Bioactive Compounds
EBC-312071
MedChem Express Bioactive Compound Library
HY-N0235
ReFrame library
TargetMol Bioactive Compound Library
T3400
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
256.18
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
5.34
TPSA
20.23
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HIF1A
Carboxylesterase (CES)
p38 MAPK
UGT
DNA polymerase I
MOA
DNA polymerase inhibitor
Pathway
Autophagy
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
MAPK
MAPK/ERK Pathway
Metabolic Enzyme/Protease
Source data