General
Preferred name
NC-005
Synonyms
o-Vanillin ()
3-Methoxysalicylaldehyde ()
3-Methoxy-2-hydroxybenzaldehyde ()
P&D ID
PD159973
CAS
148-53-8
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)
DESCRIPTION o-Vanillin (2-Vanillin) is a nature product, could be extracted from Vanilla planifolia, Pinus koraiensis fruit. o-Vanillin is a potent antifungal agent. o-Vanillin inhibits the growth of mycelia by disrupting the integrity of cell walls and cell membranes. o-Vanillin inhibits Doxorubicin (HY-15142A)- and 4-hydroperoxycyclophosphamide-induced NF-¦ÊB activation[1][2].
PRICE 29
DESCRIPTION 3-methoxy-2-hydroxybenzaldehyde is a phenoloxidase inhibitor. (Enamine Bioactive Compounds)
DESCRIPTION 3-Methoxysalicylaldehyde is a natural product. (TargetMol Bioactive Compound Library)
Compound Sets
5
Enamine Bioactive Compounds
EBC-03377
MedChem Express Bioactive Compound Library
HY-Y1832
ReFrame library
Selleckchem Bioactive Compound Library
3-methoxysalicylaldehyde
TargetMol Bioactive Compound Library
TN6748
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
152.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.21
TPSA
46.53
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Fungal
Pathway
Anti-infection
Source data