General
Preferred name
FALCARINDIOL
Synonyms
(+)-(3R,8S)-Falcarindiol ()
(3R,8S)-Falcarindiol ()
3(R),8(S),9(Z)-Falcarindiol ()
FAD, (3R,8S)-Falcarindiol, FaDOH ()
P&D ID
PD117543
CAS
55297-87-5
225110-25-8
Tags
available
drug candidate
Drug indication
Discovery agent
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 (+)-(3R,8S)-Falcarindiol is a polyacetylene found in carrots, has antimycobacterial activity, with an IC50 of 6 ¦ÌM and MIC of 24 ¦ÌM against Mycobacterium tuberculosis H37Ra[1][2]. Antineoplastic and anti-inflammatory activity[2]. (+)-(3R,8S)-Falcarindiol is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
PRICE 126
DESCRIPTION 1. (+)-(3R,8S)-Falcarindiol is a potential new anticancer agent that exerts its activity through inducing ER stress and apoptosis. 2. Falcarindiol induces immunosuppressive effects in vitro and in vivo and might be a novel therapy for autoimmune or allergic diseases. 3. Falcarindiol has protective effect against CCl(4) toxicity , in part, be explained by anti-lipid peroxidation activity associated with the induction of the GSTs including GSTA4. (TargetMol Bioactive Compound Library)
Cell lines
3
Organisms
1
Compound Sets
5
Cayman Chemical Bioactives
30919
DrugMAP
DMLOV18
MedChem Express Bioactive Compound Library
HY-N1976
Selleckchem Bioactive Compound Library
falcarindiol
TargetMol Bioactive Compound Library
T5S1285
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
260.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
0
Aromatic Ring Count
0
cLogP
2.82
TPSA
40.46
Fraction CSP3
0.53
Chiral centers
2.0
Largest ring
0.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha
Pathway
Anti-infection
Source data