chempirical

Corynoline

C21H21NO5CAS 18797-79-0367.40 g/mol

Open in Covalent MOL file
NOOOHOO
AcetalAlcoholEtherTertiary amine

Properties

Molecular formula
C21H21NO5
Molar mass
367.40 g/mol
Exact mass
367.1420 Da
logP
2.51Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
18797-79-0
SMILES
CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4
InChIKey
IQUGPRHKZNCHGC-TYPHKJRUSA-N
InChI
InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-
  • Chelidonine, 13-methyl-
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, chelidonine deriv.
  • (5bR,6S,12bR)-5b,6,7,12b,13,14-Hexahydro-5b,13-dimethyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol
  • (+)-Corynoline
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, [5bR-(5bα,6β,12bα)]-

Work with Corynoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetylcorynoline18797-80-368 % similar Chelidonine476-32-456 % similar Bicuculline485-49-435 % similar Canadine522-97-433 % similar Protopine130-86-932 % similar Cephalotaxine24316-19-631 % similar Stiripentol49763-96-430 % similar (-)-Hydrastine118-08-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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