chempirical

Fangchinoline

C37H40N2O6CAS 436-77-1608.74 g/mol

Open in Covalent MOL file
OOONOOHON
EtherPhenolTertiary amine

Properties

Molecular formula
C37H40N2O6
Molar mass
608.74 g/mol
Exact mass
608.2886 Da
Melting point
237–238 °C
logP
6.86Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
436-77-1
SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3
InChIKey
IIQSJHUEZBTSAT-VMPREFPWSA-N
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aS)-
  • Berbaman-7-ol, 6,6′,12-trimethoxy-2,2′-dimethyl-, (1β)-
  • (4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,21,26-trimethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol
  • (+)-Limacine
  • (+)-Fangchinoline
  • 7-O-Demethyltetrandrine
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, [4aS-(4aR*,16aR*)]-
  • NSC 77036
  • Hanfangchin B

Work with Fangchinoline

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

1-Isotetrandrine477-57-683 % similar Tetrandrine518-34-383 % similar (+)-Cepharanthine481-49-278 % 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)-6078-17-774 % similar Dauricine524-17-470 % similar Daurisoline70553-76-367 % similar (-)-Neferine2292-16-266 % similar (+)-Isoliensinine6817-41-063 % similar

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

Same formula

Berbamine478-61-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook