General
Preferred name
YadanziosideA
Synonyms
Yadanzioside A ()
P&D ID
PD125294
CAS
95258-15-4
Tags
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)
PRICE 1067
DESCRIPTION Yadanzioside A is a quassinoid and terpenoid extracted from Brucea javanica with antipancreatic cancer activity, inhibition of InhA enzyme (Mycobacterium enoyl acyl carrier protein reductase) and potential as an anti-tuberculosis (TB) drug. (TargetMol Bioactive Compound Library)
Compound Sets
1
TargetMol Bioactive Compound Library
TN2319
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
684.26
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
6
Rotatable Bonds
7
Ring Count
6
Aromatic Ring Count
0
cLogP
-2.29
TPSA
245.04
Fraction CSP3
0.81
Chiral centers
16.0
Largest ring
6.0
QED
0.12
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data