General
Preferred name
DIHYDROTANSHINONE I
Synonyms
15,16-Dihydrotanshinone I ()
DHTS ()
Dihydrotanshinone ()
P&D ID
PD078595
CAS
87205-99-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
6
Organisms
1
Compound Sets
6
Cayman Chemical Bioactives
25051
CZ-OPENSCREEN Bioactive Library
EU-OPENSCREEN Bioactive Compound Library
EOS100876
MedChem Express Bioactive Compound Library
HY-N0360
Selleckchem Bioactive Compound Library
dihydrotanshinone-i
TargetMol Bioactive Compound Library
T3374
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
278.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
3.29
TPSA
43.37
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.69
Structural alerts
2
quinone_D(2)
[#6]-1(-[#6]=,:[#6]-[#6]=,:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1]
PAINS Family C
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Anti-infection
Target
ROS
SARS-CoV
MOA
ROS inhibitor
Source data