Vobtusine; 18-Oxo, 2-deoxy
AlkaPlorer ID: AK317832
Synonym: 2-Deoxy-18-oxovobtusine, 2-Deoxyvobtusine lactone
IUPAC Name: methyl 19'-methoxy-9'-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4(CC5CC67CC(=O)OC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C43H48N4O6/c1-50-29-9-5-7-27-32(29)47-23-39(18-24-19-41-21-31(48)53-30(41)10-14-45-15-12-43(27,34(24)47)37(41)45)22-46-16-11-42-26-6-3-4-8-28(26)44-33(42)25(35(49)51-2)20-40(36(42)46)13-17-52-38(39)40/h3-9,24,30,34,36-38,44H,10-23H2,1-2H3
InChIKey: RTWXKEHPBLKFOG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga africana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.879
TPSA？: 92.81
MolLogP？: 4.369000000000003
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|