Berbamunine; O6'-De-Me, O7',O12-di-Me
AlkaPlorer ID: AK290500
Synonym: Espinidine
IUPAC Name: 1-[[4-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C(CC1=CC=C(OC)C(OC3=CC=C(CC4C5=CC(OC)=C(O)C=C5CCN4C)C=C3)=C1)N(C)CC2
InChI: InChI=1S/C37H42N2O6/c1-38-14-12-25-19-32(40)36(44-5)22-29(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-28-21-33(41)35(43-4)20-26(28)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3
InChIKey: YTKFSYMCOQUDNP-UHFFFAOYSA-N
Reference
Alkaloids ofBerberis laurina Billb. II. Two new phenolic biscoclaurine alkaloids
PubChem CID: 163037673
LOTUS: LTS0234964
COCONUT: CNP0317789.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis laurina | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.7510000000001
TPSA？: 83.86
MolLogP？: 6.45930000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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