Espinine
AlkaPlorer ID: AK155850
Synonym: ''
IUPAC Name: (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4C5=CC(OC)=C(O)C=C5CCN4C)C=C3)=C1)N(C)CC2
InChI: InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)35(43-4)21-28(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-27-20-33(41)34(42-3)19-25(27)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1
InChIKey: RMABHGZZUIKESI-XZWHSSHBSA-N
Reference
Alkaloids ofBerberis laurina Billb. II. Two new phenolic biscoclaurine alkaloids
PubChem CID: 102145796
LOTUS: LTS0108528
SuperNatural Ⅲ: SN0329084-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis laurina | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 596.7240000000002
TPSA？: 94.86
MolLogP？: 6.156300000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|