(+)-Thalmelatine
Basic information
- CAS
18103-44-1- Standard SMILES
COc1cc2c(cc1O)C(Cc1cc(OC)c(OC)cc1Oc1cc3c(cc1OC)-c1c(OC)c(OC)cc4c1C(C3)N(C)CC4)N(C)CC2- InChIKey
XNEFHBQMDWILRU-UHFFFAOYSA-N- Molecular formula
- C40H46N2O8
- Average molar mass
- 682.8 g/mol
- Monoisotopic mass
- 682.32541643
Overview
(+)-Thalmelatine has been reported in Thalictrum foetidum and Thalictrum dioicum with data available.
Names & identifiers
- Preferred name
- (+)-Thalmelatine
- IUPAC
- 1-[[4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Names & synonyms
(+)-Thalmelatine5308-77-0NSC209758DTXSID90967592NSC 209758NSC-2097581-({4,5-Dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl}methyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol18103-44-17-Isoquinolinol, 1-((4,5-dimethyoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (S-(R*,R*))-
Database identifiers
- CAS
18103-44-1、5308-77-0- PubChem CID
- 99772
- DTXSID
DTXSID90967592
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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