(+)-Laurolitsine

C18H19NO4CAS 5890-18-6313.35 g/mol

Open in Covalent MOL file
OHONHHOO
EtherPhenolSecondary amine

Properties

Molecular formula
C18H19NO4
Molar mass
313.35 g/mol
Exact mass
313.1314 Da
Melting point
138–140 °C
logP
2.52Crippen estimate
Polar surface area
71.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5890-18-6
SMILES
COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31
InChIKey
KYVJVURXKAZJRK-LBPRGKRZSA-N
InChI
InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1

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Names and synonyms

7 names
  • 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-
  • Laurolitsine
  • Norboldine
  • 6Aα-Noraporphine-2,9-diol, 1,10-dimethoxy-
  • 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-1,10-dimethoxy-4H-dibenzo[de,g]quinoline-2,9-diol
  • (+)-Norboldine

Work with (+)-Laurolitsine

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

Boldine476-70-061 % similar (+)-Glaucine475-81-042 % similar Gomisin J66280-25-940 % similar Cephaeline483-17-039 % similar Dicentrine517-66-837 % similar D-(-)-Tetrahydropapaverine hydrochloride54417-53-736 % similar Tetrahydropapaverine hydrochloride6429-04-536 % similar 7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline4602-73-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Kresoxim-methyl143390-89-0 (+)-Norisoboldine23599-69-1 Cbz-N-methyl-L-phenylalanine2899-07-2 N-Benzoyl-L-tyrosine ethyl ester3483-82-7 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-4 Feruloyltyramine66648-43-9

Elsewhere

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