3-Methylanthralin

HCID 10288
NotesReactions
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Basic information

CAS
491-59-8
Standard SMILES
Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIKey
JBGKVNQFVAJOGC-UHFFFAOYSA-N
Molecular formula
C15H12O3
Average molar mass
240.25 g/mol
Monoisotopic mass
240.07864424

Overview

chrysarobin has been reported in Senna obtusifolia, Senna garrettiana, and other organisms with data available.

Names & identifiers

Preferred name
3-Methylanthralin
IUPAC
3-methylanthracene-1,8,9-triol
English name
CHRYSAROBIN
Molecular formula
C15H12O3
Molecular weight
240.25

Names & synonyms

3-Methyl-1,8,9-anthracenetriol491-59-83-MethylanthralinPurified ararobaChrysophanic acid anthranol1,8,9-Trihydroxy-3-methylanthraceneDTXSID10486719-hydroxy chrysarobin0433FJV3CIDTXCID4028597RefChem:9115261,8-dihydroxy-3-methyl-9(10H)-anthracenone
Show more names
9-anthracenetriol,3-methyl-83-methyl-1,8,9-anthacenetriol
6307EF51M1ChrysarobinNSC61523-methylanthracene-1,8,9-triol1,8,9-Anthracenetriol, 3-methyl-3-Methyl-1,8,9-trihydroxyanthraceneNCGC00181774-01CAS-491-59-8

Database identifiers

CAS
491-59-8
PubChem CID
10288
DTXSID
DTXSID1048671
ChEMBL
CHEMBL2135835
UNII
0433FJV3CI
Nikkaji
J1.553I

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

Physicochemical properties

Melting point
203.7 °C · 203.7 °C
Boiling point
342.97 °C · 342.97°C (rough estimate)
Density
1.1783 · 1.1783 (rough estimate)
refractive index
1.557 · 1.5570 (estimate)
pka
6.5 · 6.50±0.30(Predicted)
FDA UNII
433 FJV3CI · 0433FJV3CI

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Applications

UsesChrysarobin was identified as a photolytic decomposition compound. Commonly used in food packaging and adhesives.

Suppliers9 total

Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
APIN-NP[email protected]
PFALTZ-BAUER[email protected]
CHROMADEX[email protected]

Related reactions

1 records
New reaction record

Compound notes

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