(9S)-5-(5-{[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-ol
AlkaPlorer ID: AK217030
Synonym: None
IUPAC Name: (6aS)-9-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Structure
SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)[C@@H]2CC1=CC(OC)=C(OC)C(OC2=C(OC)C=C3C(=C2)C[C@H]2C4=C(C=C(OC)C(O)=C34)CCN2C)=C1
InChI: InChI=1S/C40H46N2O8/c1-41-11-9-23-17-30(44-3)31(45-4)20-26(23)28(41)13-22-14-35(48-7)40(49-8)36(15-22)50-33-19-25-16-29-37-24(10-12-42(29)2)18-34(47-6)39(43)38(37)27(25)21-32(33)46-5/h14-15,17-21,28-29,43H,9-13,16H2,1-8H3/t28-,29+/m1/s1
InChIKey: CVWDGGKCTQPHSX-WDYNHAJCSA-N
Reference
Mass spectrometry of the bisbenzylisoquinoline alkaloids of thalictrum
PubChem CID: 42649044
LOTUS: LTS0182192
SuperNatural Ⅲ: SN0056981-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum foetidum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.8140000000001
TPSA？: 91.32
MolLogP？: 6.759900000000009
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|