General
Preferred name
ABSINTHIN
Synonyms
P&D ID
PD134117
CAS
1362-42-1
Tags
available
natural product
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 Absinthin is a structurally unique triterpene, and is responsible for the high bitter value of wormwood. Absinthin is an agonist of the bitter taste receptor hTAS2R46, which reduces cytosolic Ca2+-rises induced by histamine by a receptor-specific mechanism mediated by hTAS2R46[1][2][3].
DESCRIPTION Absinthin is a naturaly occurring, bitter tasting compound that is present in Artemisia absinthium (Wormwood), and other Artemisia sp. plants. (GtoPdb)
Compound Sets
3
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
MedChem Express Bioactive Compound Library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
496.28
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
7
Aromatic Ring Count
0
cLogP
3.8
TPSA
93.06
Fraction CSP3
0.8
Chiral centers
14.0
Largest ring
7.0
QED
0.39
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data