Chelidonine (+)

HCID 10147

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Basic information

Standard SMILES: CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4
InChIKey: GHKISGDRQRSCII-UHFFFAOYSA-N
Molecular formula: C20H19NO5
Average molar mass: 353.4 g/mol
Monoisotopic mass: 353.12632271

Overview

(-)-chelidonine has been reported in Glaucium squamigerum, Chelidonium majus, and other organisms with data available.

Names & identifiers

Preferred name: Chelidonine (+)
IUPAC: 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

Names & synonyms

CHELIDONINE (+)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-ol24-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-olRefChem:125104(-)-Chelidonine1235064-12-613-Methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-olTNP00274NSC646661Chelidonine [M+H]+Spectrum_001123SpecPlus_000569

Show more names

Spectrum2_000585Spectrum3_000625Spectrum4_001879Spectrum5_000478BSPBio_002190KBioGR_002381KBioSS_001603DivK1c_006665

Database identifiers

PubChem CID: 10147
DTXSID: DTXSID70871663
ChEMBL: CHEMBL436279

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 26
Formal charge: 0
Complexity: 560

Related reactions

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Compound notes

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