Daurisoline

C37H42N2O6CAS 70553-76-3610.75 g/mol

Open in Covalent MOL file
OHOHOOOONN
EtherPhenolTertiary amine

Properties

Molecular formula
C37H42N2O6
Molar mass
610.75 g/mol
Exact mass
610.3043 Da
logP
6.46Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
70553-76-3
SMILES
COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2
InChIKey
BURJAQFYNVMZDV-FIRIVFDPSA-N
InChI
InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(42-3)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, [R-(R*,R*)]-
  • (1R)-1,2,3,4-Tetrahydro-1-[[4-hydroxy-3-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
  • O7-Demethyldauricine
  • (-)-Daurisoline
  • (R,R)-Daurisoline

Work with Daurisoline

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

Grisabutine31008-18-196 % similar Dauricine524-17-494 % similar (-)-Neferine2292-16-284 % similar Berbamine478-61-578 % 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)-6078-17-776 % similar Liensinine perchlorate2385-63-969 % similar Liensinine (diperchlorate)5088-90-469 % similar Fangchinoline436-77-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Liensinine2586-96-1 (+)-Isoliensinine6817-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook