Calafatine; O7-De-Me
AlkaPlorer ID: AK291418
Synonym: Berbibuxine, 7-Demethylcalafatine
IUPAC Name: None
Structure
SMILES: COC1=CC2=C3C=C1OC1=C(O)C(OC)=CC4=C1C(CC1=CC=C(OC)C(=C1OC)OC1=CC=C(C=C1)CC3N(C)CC2)N(C)CC4
InChI: InChI=1S/C38H42N2O7/c1-39-15-13-23-19-31(43-4)32-21-27(23)28(39)17-22-7-10-26(11-8-22)46-37-30(42-3)12-9-25(36(37)45-6)18-29-34-24(14-16-40(29)2)20-33(44-5)35(41)38(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3
InChIKey: FAMCHPRTEIDBSN-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis darwinii | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis buxifolia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.761
TPSA？: 82.09
MolLogP？: 6.868000000000007
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|