chempirical

Cycleanine

C38H42N2O6CAS 518-94-5622.76 g/mol

Open in Covalent MOL file
OOOOOONN
EtherTertiary amine

Properties

Molecular formula
C38H42N2O6
Molar mass
622.76 g/mol
Exact mass
622.3043 Da
Melting point
272–273 °C
logP
7.16Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
4
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
518-94-5
SMILES
COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C
InChIKey
ANOXEUSGZWSCQL-LOYHVIPDSA-N
InChI
InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-, (12aR,24aR)-
  • (12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline
  • 8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-, [12aR-(12aR*,24aR*)]-
  • Dimethylisochondodendrine
  • O,O-Dimethylisochondodendrin
  • O,O-Dimethylisochondrodendrine
  • [12aR-(12aR*,24aR*)]-2,3,12a,13,14,15,24,24a-Octahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline
  • O,O′-Dimethylisochondrodendrine
  • Alkaloid B, from cissampelospareira
  • O-Methylnorcycleanine
  • (-)-Cycleanine

Work with Cycleanine

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

Berbamine478-61-569 % similar 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol, 3,4,4A,5,16A,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4as,16ar)-6078-17-767 % similar (+)-Cepharanthine481-49-263 % similar Fangchinoline436-77-161 % similar (+)-Glaucine475-81-057 % similar Nuciferine475-83-257 % similar Dauricine524-17-457 % similar (+)-Isocorydine475-67-254 % similar

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

Same formula

1-Isotetrandrine477-57-6 Tetrandrine518-34-3

Elsewhere

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