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Chemical structure of Rutaecarpine

GN10039

Rutaecarpine

Also known as 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one

Rutaecarpine is an indolopyridoquinazoline alkaloid isolated from Evodia rutaecarpa and known to inhibit COX-2 with an IC50 of 0·28μM at the cellular level

ChemicalCAS84-26-4MW287.32FormulaC18H13N3O
CAS number
84-26-4
Molecular weight
287.32
Formula
C18H13N3O
Solubility
DMF： 33 mg/ml,DMSO： 12 mg/ml
InChIKey
ACVGWSKVRYFWRP-UHFFFAOYSA-N
Catalogue number
GN10039
Brand
GLPBIO
Computed properties PubChem CID 65752 · XLogP 3 · TPSA 48.5 Ų · H-bond donors 1
XLogP
3
TPSA
48.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22

SMILES C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4

Computed descriptors from PubChem (CID 65752), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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