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Chelidonine hydrochloride

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1966935
PubChem: 24201226
IUPAC: (1R,12R,13S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrochloride
Standard InChI: InChI=1S/C20H19NO5.ClH/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21;/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3;1H/t14-,18-,19+;/m1./s1
Standard InChI Key: LVURMIFHBFKWNP-CIVDVNSDSA-N
SMILES: CN1Cc2c([C@H]3[C@@H]1c1cc4OCOc4cc1C[C@H]3O)ccc1c2OCO1.Cl

Molecular propeties

AlogP: 2.33
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 353.13
Topological polar surface area: 60.4
Number of aromatic rings: 2
Fsp3: 0.4
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantChelidonium majus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.