Thalmelatine
AlkaPlorer ID: AK140171
Synonym: '(+)-Thalmelatine'
IUPAC Name: (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@H](CC1=CC(OC)=C(OC)C=C1OC1=CC3=C(C=C1OC)C1=C(OC)C(OC)=CC4=C1[C@H](C3)N(C)CC4)N(C)CC2
InChI: InChI=1S/C40H46N2O8/c1-41-11-9-22-15-32(44-3)30(43)19-26(22)28(41)14-25-18-33(45-4)35(47-6)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-34(36)46-5/h15-21,28-29,43H,9-14H2,1-8H3/t28-,29-/m0/s1
InChIKey: XNEFHBQMDWILRU-VMPREFPWSA-N
Reference
Alkaloids of<i>Thalictrum glandulosissimum</i>
PubChem CID: 21768959
LOTUS: LTS0185981
SuperNatural Ⅲ: SN0434802-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum minus | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.8139999999999
TPSA？: 91.32
MolLogP？: 6.759900000000008
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|