Aquifoline
AlkaPlorer ID: AK008341
Synonym: ''
IUPAC Name: (1S,14R)-21,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,20-diol
Structure
SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(O)=C1OC)CCN(C)[C@@H]4CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2
InChI: InChI=1S/C36H38N2O6/c1-37-13-11-23-19-32(41-3)33-20-26(23)27(37)15-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)39)16-28-34-24(12-14-38(28)2)18-30(40)35(42-4)36(34)44-33/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
InChIKey: UXKWTHAODKUNOC-WUFINQPMSA-N
Reference
A new bisbenzylisoquinoline alkaloid from Mahonia aquifolium (PURSH) NUTT.
PubChem CID: 89688344
LOTUS: LTS0157089
SuperNatural Ⅲ: SN0382709-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis aquifolium | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.708
TPSA？: 83.86
MolLogP？: 6.556400000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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