Bouvardin; 3E-Deoxy, N2c-de-Me
AlkaPlorer ID: AK290897
Synonym: Rubipodanin A
IUPAC Name: None
Structure
SMILES: COC1=CC=C(CC2NC(=O)C(C)NC(=O)C(C)NC(=O)C3CC4=CC=C(O)C(=C4)OC4=CC=C(C=C4)CC(C(=O)N3C)N(C)C(=O)C(C)NC2=O)C=C1
InChI: InChI=1S/C39H46N6O9/c1-21-34(47)40-22(2)35(48)43-29(17-24-7-12-27(53-6)13-8-24)36(49)42-23(3)38(51)45(5)31-18-25-9-14-28(15-10-25)54-33-20-26(11-16-32(33)46)19-30(37(50)41-21)44(4)39(31)52/h7-16,20-23,29-31,46H,17-19H2,1-6H3,(H,40,47)(H,41,50)(H,42,49)(H,43,48)
InChIKey: BIASHUKGGXQYQH-UHFFFAOYSA-N
Reference
CAS: 2071185-21-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rubia podantha | Rubia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 742.83
TPSA？: 195.71
MolLogP？: 1.2009000000000043
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|